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6-Chloro famciclovir

UUID 401c017d-9037-41f9-9f39-a7b6611f7e02
Flow Object IDfo-a96e58f55458a177
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 97845-60-8
EC Numbers 619-293-7
prefLabel
Language Value Provenance
en 6-Chloro famciclovir
altLabel ⓘ
Language Value Provenance
en 1,1′-[2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-1,3-propanediyl] diacetate
en 1,3-Propanediol, 2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-, 1,3-diacetate
en 1,3-Propanediol, 2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-, diacetate (ester)
en 2-Amino-6-chloro-9-(4-acetoxy-3-acetoxymethylbutyl)purine
en 9-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine
en [2-(Acetyloxymethyl)-4-(2-amino-6-chloropurin-9-yl)butyl] acetate
en 2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl Acetate
References
Shared Properties
Predicate Value
InChIKey KXPSHSVVYGZKAV-UHFFFAOYSA-N
InChI InChI=1S/C14H18ClN5O4/c1-8(21)23-5-10(6-24-9(2)22)3-4-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,10H,3-6H2,1-2H3,(H2,16,18,19)
IUPAC name [2-(acetoxymethyl)-4-(2-amino-6-chloro-purin-9-yl)butyl] acetate, [2-(acetyloxymethyl)-4-(2-amino-6-chloropurin-9-yl)butyl] acetate, [2-(acetyloxymethyl)-4-(2-azanyl-6-chloranyl-purin-9-yl)butyl] ethanoate, acetic acid [2-(acetoxymethyl)-4-(2-amino-6-chloro-purin-9-yl)butyl] ester, acetic acid [2-(acetyloxymethyl)-4-(2-amino-6-chloro-9-purinyl)butyl] ester
Molecular formula C14H18ClN5O4
SMILES CC(=O)OCC(CCN1C=NC2=C1N=C(N=C2Cl)N)COC(=O)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 401c017d-9037-41f9-9f39-a7b6611f7e02 2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butyl acetate Emissions/Emissions to air/Emissions to air, unspecified 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=2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butylacetate||dimension=Environmental > media=Air > indoor=Unknown; cas=97845-60-8; added Common Chemistry CAS names as altLabel: 1,1′-[2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-1,3-propanediyl] diacetate, 1,3-Propanediol, 2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-, 1,3-diacetate, 1,3-Propanediol, 2-[2-(2-amino-6-chloro-9<em>H</em>-purin-9-yl)ethyl]-, diacetate (ester), 2-Amino-6-chloro-9-(4-acetoxy-3-acetoxymethylbutyl)purine, 9-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine, [2-(Acetyloxymethyl)-4-(2-amino-6-chloropurin-9-yl)butyl] acetate; object_uuid=fo-a96e58f55458a177
cas_match_labels 1 — consensus_match group_key=2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butylacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'97845-60-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a96e58f55458a177: {'97845-60-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'97845-60-8': 'exactMatch'} group_key=2-[(acetyloxy)methyl]-4-(2-amino-6-chloro-9h-purin-9-yl)butylacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'97845-60-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a96e58f55458a177: {'97845-60-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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