Products 457071-73-7

CAS 457071-73-7 appears in our catalog under these names: Buprenorphine EP Impurity A (controlled substance), N-(3-Butenyl)norbuprenorphine (1.0mg/ml in Acetonitrile), N-(3-Butenyl)norbuprenorphine, >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 1x1ml, 50mg, 5mg.

Buprenorphine EP Impurity A (controlled substance)
Chemat Brand
  • size: on request
  • Variants: 1
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N-(3-Butenyl)norbuprenorphine (1.0mg/ml in Acetonitrile)
TRC
  • size: 1x1ml
  • Variants: 1
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N-(3-Butenyl)norbuprenorphine, >95% (HPLC)
TRC
  • size: 50mg, 5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(1S,2S,6R,14R,15R,16R)-5-but-3-enyl-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol (CAS 457071-73-7) is a chemical compound with the molecular formula C29H41NO4 and a molecular weight of 467.6 g/mol. IUPAC name: (1S,2S,6R,14R,15R,16R)-5-but-3-enyl-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol. InChIKey: OLKNJLQXKYIUDJ-IHFGGWKQSA-N.

Identity
Molecular formulaC29H41NO4
Molecular weight467.6 g/mol
IUPAC name(1S,2S,6R,14R,15R,16R)-5-but-3-enyl-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
InChIKeyOLKNJLQXKYIUDJ-IHFGGWKQSA-N
SMILESC[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CCC=C)OC)(C(C)(C)C)O

Computed by PubChem (NCBI)

Synonyms: N-(3-Butenyl)norbuprenorphine, N-(3-Butenyl)norbuprenorphine (1.0mg/ml in Acetonitrile), BUPRENORPHINE IMPURITY A [EP IMPURITY], BUPRENORPHINE HYDROCHLORIDE IMPURITY A [EP IMPURITY], Buprenorphine Related Compound A CII(Secondary Standards traceble to USP)
Isomers (same molecular formula)
(1S,2S,6R,14R,15R,16S)-5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol C29H41NO4
(1S,2S,6R,14R,16R)-5-[dideuterio-(2,2-dideuteriocyclopropyl)methyl]-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol C29H41NO4
(1S,2S,6R,15R,16R)-5-(cyclopropylmethyl)-15-methoxy-16-[(2R)-4,4,4-trideuterio-2-hydroxy-3,3-bis(trideuteriomethyl)butan-2-yl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol C29H41NO4