3-O-Methylbuprenorphine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H43NO4
Molecular Weight	481.6667
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2O[C@@H]3[C@]45CCN(CC6CC6)[C@H](CC(C=C1)=C24)[C@]57CC[C@@]3(OC)[C@H](C7)[C@](C)(O)C(C)(C)C

InChI

InChIKey=TWUKPJNGRBWVGE-VQWWACLZSA-N

InChI=1S/C30H43NO4/c1-26(2,3)27(4,32)21-16-28-11-12-30(21,34-6)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(33-5)24(35-25)23(19)29/h9-10,18,21-22,25,32H,7-8,11-17H2,1-6H3/t21-,22-,25-,27+,28-,29+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H43NO4
Molecular Weight	481.6667
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 `Wed Apr 02 21:09:33 GMT 2025` Edited by `admin` on `Wed Apr 02 21:09:33 GMT 2025`
Record UNII	YW439G497A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-O-Methylbuprenorphine

Common Name

English

RX 6021M

Preferred Name

English

(?S,5?,7?)-17-(Cyclopropylmethyl)-?-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-?-methyl-6,14-ethenomorphinan-7-methanol

Systematic Name

English

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

Systematic Name

English

BUPRENORPHINE HYDROCHLORIDE IMPURITY D [EP IMPURITY]

Common Name

English

Buprenorphine 3-O-methyl ether

Common Name

English

(2S)-2-[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol

Systematic Name

English

6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-?-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-?-methyl-

Systematic Name

English

6,14-endo-Ethanotetrahydrothebaine, 22-cyclopropyl-7?-(1-hydroxy-1,2,2-trimethylpropyl)-

Systematic Name

English

BUPRENORPHINE IMPURITY D [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

YW439G497A

Created by admin on Wed Apr 02 21:09:33 GMT 2025 , Edited by admin on Wed Apr 02 21:09:33 GMT 2025

PRIMARY

EPA CompTox

DTXSID501020935

Created by admin on Wed Apr 02 21:09:33 GMT 2025 , Edited by admin on Wed Apr 02 21:09:33 GMT 2025

PRIMARY

PUBCHEM

14949395

Created by admin on Wed Apr 02 21:09:33 GMT 2025 , Edited by admin on Wed Apr 02 21:09:33 GMT 2025

PRIMARY

CAS

16524-65-5

Created by admin on Wed Apr 02 21:09:33 GMT 2025 , Edited by admin on Wed Apr 02 21:09:33 GMT 2025

PRIMARY

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