Sch 56592-vvt

← Back to consensus flows

UUID ebe60b99-929b-4ed3-b45f-9d9f331fdf5e

Flow Object ID fo-d582c9d01d8fbe4b

Source EF 3.1

Context Environmental → Water → Surface water

CAS Numbers 345217-02-9

EC Numbers 447-870-1

prefLabel

Language	Value	Provenance
`en`	`Sch 56592-vvt`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-[(1<em>S</em>,2<em>S</em>)-1-Ethyl-2-(phenylmethoxy)propyl]-<em>N</em>-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]hydrazinecarboxamide`
`en`	`Hydrazinecarboxamide, 1-[(1<em>S</em>,2<em>S</em>)-1-ethyl-2-(phenylmethoxy)propyl]-<em>N</em>-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-`

References

Shared Properties

Predicate	Value
InChIKey	`MNBSDZVEXCMDRX-AFJOWOCMSA-N, NHGGGQXZNVGCBP-DFHRPNOPSA-N, OYVWMWMSNMDYQC-DWACAAAGSA-N, OYVWMWMSNMDYQC-UHFFFAOYSA-N`
InChI	InChI=1S/C20H24O3/c1-19-7-5-13(22)10-17(19)12(11-21)9-14-15-3-4-18(23)20(15,2)8-6-16(14)19/h5,7,9-10,14-16,21H,3-4,6,8,11H2,1-2H3/t14-,15+,16+,19+,20-/m0/s1, InChI=1S/C29H37N5O3/c1-3-28(22(2)21-37-27-7-5-4-6-8-27)34(30)29(36)31-23-9-11-24(12-10-23)32-17-19-33(20-18-32)25-13-15-26(35)16-14-25/h4-16,22,28,35H,3,17-21,30H2,1-2H3,(H,31,36)/t22-,28+/m1/s1, InChI=1S/C29H37N5O3/c1-3-28(22(2)37-21-23-7-5-4-6-8-23)34(30)29(36)31-24-9-11-25(12-10-24)32-17-19-33(20-18-32)26-13-15-27(35)16-14-26/h4-16,22,28,35H,3,17-21,30H2,1-2H3,(H,31,36), InChI=1S/C29H37N5O3/c1-3-28(22(2)37-21-23-7-5-4-6-8-23)34(30)29(36)31-24-9-11-25(12-10-24)32-17-19-33(20-18-32)26-13-15-27(35)16-14-26/h4-16,22,28,35H,3,17-21,30H2,1-2H3,(H,31,36)/t22-,28-/m0/s1
IUPAC name	(8R,9R,10R,13S,14R)-10,13-dimethyl-6-methylol-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-quinone, (8R,9R,10R,13S,14R)-6-(hydroxymethyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione, 1-amino-1-(2-benzoxy-1-ethyl-propyl)-3-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]urea, 1-amino-1-(2-benzyloxy-1-ethyl-propyl)-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]urea, 1-amino-1-[(1S,2S)-1-ethyl-2-methyl-3-phenoxy-propyl]-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]urea, 1-amino-1-[(1S,2S)-1-ethyl-2-methyl-3-phenoxy-propyl]-3-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]urea, 1-amino-1-[(1S,2S)-2-benzoxy-1-ethyl-propyl]-3-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]urea, 1-amino-1-[(1S,2S)-2-benzyloxy-1-ethyl-propyl]-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]urea, 1-amino-3-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-1-(2-phenylmethoxypentan-3-yl)urea, 1-amino-3-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-1-[(2S,3S)-2-methyl-1-phenoxypentan-3-yl]urea, 1-amino-3-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-1-[(2S,3S)-2-phenylmethoxypentan-3-yl]urea, 1-amino-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1-(2-phenylmethoxypentan-3-yl)urea, 1-amino-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1-[(2S,3S)-2-methyl-1-phenoxypentan-3-yl]urea, 1-amino-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1-[(2S,3S)-2-phenylmethoxypentan-3-yl]urea, 1-azanyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1-(2-phenylmethoxypentan-3-yl)urea, 1-azanyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1-[(2S,3S)-2-methyl-1-phenoxy-pentan-3-yl]urea, 1-azanyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1-[(2S,3S)-2-phenylmethoxypentan-3-yl]urea
Molecular formula	`C20H24O3, C29H37N5O3`
SMILES	`CC12CCC3C(C1CCC2=O)C=C(C4=CC(=O)C=CC34C)CO, CCC(C(C)COC1=CC=CC=C1)N(C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)N, CCC(C(C)OCC1=CC=CC=C1)N(C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)N, CC[C@@H]([C@H](C)COC1=CC=CC=C1)N(C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)N, CC[C@@H]([C@H](C)OCC1=CC=CC=C1)N(C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)N, C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)C=C(C4=CC(=O)C=C[C@]34C)CO`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`ebe60b99-929b-4ed3-b45f-9d9f331fdf5e`	sch 56592-vvt

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	sch 56592-vvt	Emissions/Emissions to water/Emissions to fresh 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=sch56592-vvt\|\|dimension=Environmental > media=Air > strata=Unknown; cas=345217-02-9; added Common Chemistry CAS names as altLabel: 1-[(1<em>S</em>,2<em>S</em>)-1-Ethyl-2-(phenylmethoxy)propyl]-<em>N</em>-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]hydrazinecarboxamide, Hydrazinecarboxamide, 1-[(1<em>S</em>,2<em>S</em>)-1-ethyl-2-(phenylmethoxy)propyl]-<em>N</em>-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-; object_uuid=fo-d582c9d01d8fbe4b
`cas_match_labels`	1	`—`	consensus_match	group_key=sch56592-vvt\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'345217-02-9': []}; assigned CAS labels from group consensus; object_uuid=fo-d582c9d01d8fbe4b: {'345217-02-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-[(1<em>S</em>,2<em>S</em>)-1-Ethyl-2-(phenylmethoxy)propyl]-<em>N</em>-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]hydrazinecarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:345217-02-9', 'https://commonchemistry.cas.org/detail?cas_rn=345217-02-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hydrazinecarboxamide, 1-[(1<em>S</em>,2<em>S</em>)-1-ethyl-2-(phenylmethoxy)propyl]-<em>N</em>-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:345217-02-9', 'https://commonchemistry.cas.org/detail?cas_rn=345217-02-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=sch56592-vvt\|\|dimension=Environmental > media=Air > strata=Unknown; cas=345217-02-9; added Common Chemistry CAS names as altLabel: 1-[(1<em>S</em>,2<em>S</em>)-1-Ethyl-2-(phenylmethoxy)propyl]-<em>N</em>-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]hydrazinecarboxamide, Hydrazinecarboxamide, 1-[(1<em>S</em>,2<em>S</em>)-1-ethyl-2-(phenylmethoxy)propyl]-<em>N</em>-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-; object_uuid=fo-d582c9d01d8fbe4b
`cas_match_labels`	`None`	`{'345217-02-9': 'exactMatch'}`	group_key=sch56592-vvt\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'345217-02-9': []}; assigned CAS labels from group consensus; object_uuid=fo-d582c9d01d8fbe4b: {'345217-02-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "unit": "kg",
  "lcia_methods": [
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      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 104370.0
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 104370.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "ebe60b99-929b-4ed3-b45f-9d9f331fdf5e",
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
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        "(8R,9R,10R,13S,14R)-6-(hydroxymethyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione",
        "1-amino-1-(2-benzoxy-1-ethyl-propyl)-3-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]urea",
        "1-amino-1-(2-benzyloxy-1-ethyl-propyl)-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]urea",
        "1-amino-1-[(1S,2S)-1-ethyl-2-methyl-3-phenoxy-propyl]-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]urea",
        "1-amino-1-[(1S,2S)-1-ethyl-2-methyl-3-phenoxy-propyl]-3-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]urea",
        "1-amino-1-[(1S,2S)-2-benzoxy-1-ethyl-propyl]-3-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]urea",
        "1-amino-1-[(1S,2S)-2-benzyloxy-1-ethyl-propyl]-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]urea",
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