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Phenesterin

UUID fe0acd60-3ddc-11dd-9f7d-0050c2490048
Flow Object IDfo-239edfac6fcadf9d
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 3546-10-9
prefLabel
Language Value Provenance
en Phenesterin
altLabel ⓘ
Language Value Provenance
en 3β-Hydroxycholest-5-ene [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]acetate
en Acetic acid, [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]-, cholesteryl ester
en Cholest-5-en-3-ol (3β)-, 3-[4-[bis(2-chloroethyl)amino]benzeneacetate]
en Cholest-5-en-3-ol (3β)-, 4-[bis(2-chloroethyl)amino]benzeneacetate
en Cholesterol, [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]acetate
en Cholesteryl <em>p</em>-bis(2-chloroethyl)aminophenylacetate
en DAL 25
en Fenesterin
en Fenestrin
en NSC 104469
en NSC-104,469e
en Phenesterine
en Phenestrin
References
Shared Properties
Predicate Value
InChIKey HZFRKZWBVUJYDA-UHFFFAOYSA-N, SPJCRMJCFSJKDE-UHFFFAOYSA-N, SPJCRMJCFSJKDE-ZWBUGVOYSA-N
InChI InChI=1S/C39H59Cl2NO2/c1-27(2)7-6-8-28(3)34-15-16-35-33-14-11-30-26-32(17-19-38(30,4)36(33)18-20-39(34,35)5)44-37(43)25-29-9-12-31(13-10-29)42(23-21-40)24-22-41/h9-13,27-28,32-36H,6-8,14-26H2,1-5H3, InChI=1S/C39H59Cl2NO2/c1-27(2)7-6-8-28(3)34-15-16-35-33-14-11-30-26-32(17-19-38(30,4)36(33)18-20-39(34,35)5)44-37(43)25-29-9-12-31(13-10-29)42(23-21-40)24-22-41/h9-13,27-28,32-36H,6-8,14-26H2,1-5H3/t28-,32+,33+,34-,35+,36+,38+,39-/m1/s1, InChI=1S/C8H9ClO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
IUPAC name 2-(4-chlorophenyl)ethanol, 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester, 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester, 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester, 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester, [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate, [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate, [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate, [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate, [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate, [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Molecular formula C39H59Cl2NO2, C8H9ClO
SMILES C1=CC(=CC=C1CCO)Cl, CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C, C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-9f7d-0050c2490048 phenesterin

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 phenesterin Emissions/Emissions to water/Emissions to sea water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=phenesterin||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=3546-10-9; added Common Chemistry CAS names as altLabel: 3β-Hydroxycholest-5-ene [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]acetate, Acetic acid, [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]-, cholesteryl ester, Cholest-5-en-3-ol (3β)-, 3-[4-[bis(2-chloroethyl)amino]benzeneacetate], Cholest-5-en-3-ol (3β)-, 4-[bis(2-chloroethyl)amino]benzeneacetate, Cholesterol, [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]acetate, Cholesteryl <em>p</em>-bis(2-chloroethyl)aminophenylacetate, DAL 25, Fenesterin, Fenestrin, NSC 104469, NSC-104,469e, Phenesterine, Phenestrin; object_uuid=fo-239edfac6fcadf9d
cas_match_labels 1 — consensus_match group_key=phenesterin||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3546-10-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-239edfac6fcadf9d: {'3546-10-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '3β-Hydroxycholest-5-ene [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]-, cholesteryl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cholest-5-en-3-ol (3β)-, 3-[4-[bis(2-chloroethyl)amino]benzeneacetate]', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cholest-5-en-3-ol (3β)-, 4-[bis(2-chloroethyl)amino]benzeneacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cholesterol, [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cholesteryl <em>p</em>-bis(2-chloroethyl)aminophenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DAL 25', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fenesterin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fenestrin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 104469', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC-104,469e', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenesterine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenestrin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3546-10-9', 'https://commonchemistry.cas.org/detail?cas_rn=3546-10-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=phenesterin||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=3546-10-9; added Common Chemistry CAS names as altLabel: 3β-Hydroxycholest-5-ene [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]acetate, Acetic acid, [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]-, cholesteryl ester, Cholest-5-en-3-ol (3β)-, 3-[4-[bis(2-chloroethyl)amino]benzeneacetate], Cholest-5-en-3-ol (3β)-, 4-[bis(2-chloroethyl)amino]benzeneacetate, Cholesterol, [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]acetate, Cholesteryl <em>p</em>-bis(2-chloroethyl)aminophenylacetate, DAL 25, Fenesterin, Fenestrin, NSC 104469, NSC-104,469e, Phenesterine, Phenestrin; object_uuid=fo-239edfac6fcadf9d
cas_match_labels None {'3546-10-9': 'exactMatch'} group_key=phenesterin||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3546-10-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-239edfac6fcadf9d: {'3546-10-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester",
        "2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester",
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        "[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate",
        "[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate",
        "[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate",
        "[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate",
        "[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate",
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