BUPRENORPHINE 3-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H49NO10
Molecular Weight	643.7643
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUPRENORPHINE 3-GLUCURONIDE

Structure Search

SMILES

[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]57CC[C@@]2(OC)[C@]([H])(C7)[C@](C)(O)C(C)(C)C)=CC=C3O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O

InChI

InChIKey=CZULHKGIAJASAA-WWIHBJMFSA-N

InChI=1S/C35H49NO10/c1-31(2,3)32(4,42)20-15-33-10-11-35(20,43-5)30-34(33)12-13-36(16-17-6-7-17)21(33)14-18-8-9-19(26(46-30)22(18)34)44-29-25(39)23(37)24(38)27(45-29)28(40)41/h8-9,17,20-21,23-25,27,29-30,37-39,42H,6-7,10-16H2,1-5H3,(H,40,41)/t20-,21-,23+,24+,25-,27+,29-,30-,32+,33-,34+,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H49NO10
Molecular Weight	643.7643
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:57:56 GMT 2023` Edited by `admin` on `Fri Dec 15 15:57:56 GMT 2023`
Record UNII	L7FYM9GI97
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUPRENORPHINE 3-GLUCURONIDE

Common Name

English

BUPRENORPHINE 3-.BETA.-D-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (5.ALPHA.,7.ALPHA.)-17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-18,19-DIHYDRO-7-((1S)-1-HYDROXY-1,2,2-TRIMETHYLPROPYL)-6-METHOXY-6,14-ETHENOMORPHINAN-3-YL

Common Name

English

BUPRENORPHINE-3B-D-GLUCURONIDE

Common Name

English

BUPRENORPHINE GLUCURONIDE

Common Name

English

Code System Code Type Description

WIKIPEDIA

Buprenorphine-3-glucuronide