NORBUPRENORPHINE 3-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H43NO10
Molecular Weight	589.6738
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NORBUPRENORPHINE 3-GLUCURONIDE

Structure Search

SMILES

[H][C@@]12OC3=C4C(C[C@H]5NCC[C@@]14[C@@]56CC[C@@]2(OC)[C@]([H])(C6)[C@](C)(O)C(C)(C)C)=CC=C3O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O

InChI

InChIKey=OOLGGESLZHGXGC-TXYLTYGDSA-N

InChI=1S/C31H43NO10/c1-27(2,3)28(4,38)16-13-29-8-9-31(16,39-5)26-30(29)10-11-32-17(29)12-14-6-7-15(22(42-26)18(14)30)40-25-21(35)19(33)20(34)23(41-25)24(36)37/h6-7,16-17,19-21,23,25-26,32-35,38H,8-13H2,1-5H3,(H,36,37)/t16-,17-,19+,20+,21-,23+,25-,26-,28+,29-,30+,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H43NO10
Molecular Weight	589.6738
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 `Sat Dec 16 09:04:30 GMT 2023` Edited by `admin` on `Sat Dec 16 09:04:30 GMT 2023`
Record UNII	YPZ2R0PR50
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NORBUPRENORPHINE 3-GLUCURONIDE

Common Name

English

NORBUPRENORPHINE GLUCURONIDE

Common Name

English

NORBUPRENORPHINE 3-.BETA.-D-GLUCURONIDE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Norbuprenorphine-3-glucuronide