6-O-Desmethyl Buprenorphine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H39NO4
Molecular Weight	453.6136
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-O-Desmethyl Buprenorphine

Structure Search

SMILES

CC(C)(C)[C@@](C)(O)[C@H]1C[C@@]23CC[C@]1(O)[C@@H]4OC5=C(O)C=CC6=C5[C@]24CCN(CC7CC7)[C@@H]3C6

InChI

InChIKey=PVQDTNRTSUTFFF-JOJQJKSDSA-N

InChI=1S/C28H39NO4/c1-24(2,3)25(4,31)19-14-26-9-10-28(19,32)23-27(26)11-12-29(15-16-5-6-16)20(26)13-17-7-8-18(30)22(33-23)21(17)27/h7-8,16,19-20,23,30-32H,5-6,9-15H2,1-4H3/t19-,20-,23-,25+,26-,27+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H39NO4
Molecular Weight	453.6136
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	YX9AX89DKP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-O-Desmethyl Buprenorphine

Common Name

English

6-O-Demethylbuprenorphine

Preferred Name

English

Desmethyl Buprenorphine

Common Name

English

BUPRENORPHINE HYDROCHLORIDE IMPURITY E [EP IMPURITY]

Common Name

English

6,14-Ethenomorphinan-3,6-diol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-, (5?,7?)-

Systematic Name

English

BUPRENORPHINE IMPURITY E [EP IMPURITY]

Common Name

English

(5?,7?)-17-(Cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-ethenomorphinan-3,6-dio

Systematic Name

English

(2S)-2-[17-(cyclopropylmethyl)-4,5?-epoxy-3,6-dihydroxy-6?,14-ethano-14?-morphinan-7?-yl]-3,3-dimethylbutan-2-ol (6-O-desmethylbuprenorphine)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80747547

Created by admin on Tue Apr 01 16:25:12 GMT 2025 , Edited by admin on Tue Apr 01 16:25:12 GMT 2025

PRIMARY

PUBCHEM

14748550

Created by admin on Tue Apr 01 16:25:12 GMT 2025 , Edited by admin on Tue Apr 01 16:25:12 GMT 2025

PRIMARY

FDA UNII

YX9AX89DKP

Created by admin on Tue Apr 01 16:25:12 GMT 2025 , Edited by admin on Tue Apr 01 16:25:12 GMT 2025

PRIMARY

CAS

130668-48-3

Created by admin on Tue Apr 01 16:25:12 GMT 2025 , Edited by admin on Tue Apr 01 16:25:12 GMT 2025

PRIMARY

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