ETHENOBUPRENORPHINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H39NO4
Molecular Weight	465.6243
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@]12C=C[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4CC5=C6C(O[C@@H]2[C@@]36CCN4CC7CC7)=C(O)C=C5

InChI

InChIKey=XXEUUFWMPBSHCE-IHFGGWKQSA-N

InChI=1S/C29H39NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-11,17,20-21,24,31-32H,6-7,12-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H39NO4
Molecular Weight	465.6243
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:25:12 GMT 2025` Edited by `admin` on `Tue Apr 01 16:25:12 GMT 2025`
Record UNII	BB3EB8AQ3P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HS-599

Preferred Name

English

ETHENOBUPRENORPHINE

Common Name

English

(S)-2-(17-(CYCLOPROPYLMETHYL)-4,5.ALPHA.-EPOXY-3-HYDROXY-6-METHOXY-6.ALPHA.,14-ETHENOMORPHINAN-7.ALPHA.-YL)-3,3-DIMETHYLBUTAN-2-OL

Systematic Name

English

18,19-DEHYDROBUPRENORPHINE

Common Name

English

BUPRENORPHINE HYDROCHLORIDE IMPURITY J [EP IMPURITY]

Common Name

English

(?S,5?,7?)-17-(Cyclopropylmethyl)-?-(1,1-dimethylethyl)-4,5-epoxy-3-hydroxy-6-methoxy-?-methyl-6,14-ethenomorphinan-7-methanol

Systematic Name

English

6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-?-(1,1-dimethylethyl)-4,5-epoxy-3-hydroxy-6-methoxy-?-methyl-, [5?,7?(S)]-

Systematic Name

English

BUPRENORPHINE IMPURITY J [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

21595536