N-DEMETHYLTAPENTADOL-O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H29NO7
Molecular Weight	383.4361
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-DEMETHYLTAPENTADOL-O-GLUCURONIDE

Structure Search

SMILES

CC[C@H]([C@@H](C)CNC)C1=CC=CC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1

InChI

InChIKey=NZXQRBQRSILIIJ-WDRIRZBNSA-N

InChI=1S/C19H29NO7/c1-4-13(10(2)9-20-3)11-6-5-7-12(8-11)26-19-16(23)14(21)15(22)17(27-19)18(24)25/h5-8,10,13-17,19-23H,4,9H2,1-3H3,(H,24,25)/t10-,13+,14-,15-,16+,17-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H29NO7
Molecular Weight	383.4361
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 `Sat Dec 16 09:03:57 GMT 2023` Edited by `admin` on `Sat Dec 16 09:03:57 GMT 2023`
Record UNII	GBW941TPVE
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

N-DEMETHYLTAPENTADOL-O-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-((1R,2R)-1-ETHYL-2-METHYL-3-(METHYLAMINO)PROPYL)PHENYL

Systematic Name

English

N-DESMETHYL TAPENTADOL O-.BETA.-D-GLUCURONIDE

Common Name

English

Code System Code Type Description

FDA UNII

GBW941TPVE

Created by admin on Sat Dec 16 09:03:58 GMT 2023 , Edited by admin on Sat Dec 16 09:03:58 GMT 2023

PRIMARY

PUBCHEM

71315793

Created by admin on Sat Dec 16 09:03:58 GMT 2023 , Edited by admin on Sat Dec 16 09:03:58 GMT 2023

PRIMARY

CAS

1300037-84-6

Created by admin on Sat Dec 16 09:03:58 GMT 2023 , Edited by admin on Sat Dec 16 09:03:58 GMT 2023

PRIMARY

Related Record Type Details


					H8A007M585

TAPENTADOL

PARENT -> METABOLITE INACTIVE

Qualification:

URINE

Amount: