CYCLOBENZAPRINE N-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H29NO6
Molecular Weight	451.5116
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYCLOBENZAPRINE N-GLUCURONIDE

Structure Search

SMILES

C[N+](C)(CCC=C1C2=C(C=CC=C2)C=CC3=C1C=CC=C3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O

InChI

InChIKey=DJRZMHSVTCVTFB-ARXROMJUSA-N

InChI=1S/C26H29NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14,21-25,28-30H,7,15H2,1-2H3/t21-,22-,23+,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H29NO6
Molecular Weight	451.5116
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:26:38 GMT 2023` Edited by `admin` on `Sat Dec 16 08:26:38 GMT 2023`
Record UNII	85C2J6324P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYCLOBENZAPRINE N-GLUCURONIDE

Common Name

English

Code System Code Type Description

CAS

67324-97-4

Created by admin on Sat Dec 16 08:26:38 GMT 2023 , Edited by admin on Sat Dec 16 08:26:38 GMT 2023

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FDA UNII

85C2J6324P

Created by admin on Sat Dec 16 08:26:38 GMT 2023 , Edited by admin on Sat Dec 16 08:26:38 GMT 2023

PRIMARY

PUBCHEM

92132319

Created by admin on Sat Dec 16 08:26:38 GMT 2023 , Edited by admin on Sat Dec 16 08:26:38 GMT 2023

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CYCLOBENZAPRINE

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