NALMEFENE 3-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31NO9
Molecular Weight	513.5363
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)C=CC2=C)=CC=C3O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O

InChI

InChIKey=WVNOWMNWGLCPBW-UEDZHUOVSA-N

InChI=1S/C27H31NO9/c1-12-6-7-27(34)16-10-14-4-5-15(35-25-20(31)18(29)19(30)22(37-25)24(32)33)21-17(14)26(27,23(12)36-21)8-9-28(16)11-13-2-3-13/h4-7,13,16,18-20,22-23,25,29-31,34H,1-3,8-11H2,(H,32,33)/t16-,18+,19+,20-,22+,23+,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H31NO9
Molecular Weight	513.5363
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:52:09 GMT 2023` Edited by `admin` on `Fri Dec 15 15:52:09 GMT 2023`
Record UNII	NLD8Y0H9J0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NALMEFENE 3-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (5.ALPHA.)-17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-14-HYDROXY-6-METHYLENEMORPHINAN-3-YL

Systematic Name

English

Code System Code Type Description

FDA UNII

NLD8Y0H9J0