N-NITROSOGLYCOCHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H42N2O7
Molecular Weight	494.6209
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N(CC(O)=O)N=O

InChI

InChIKey=IWZAMXSNVROOQA-FRVQLJSFSA-N

InChI=1S/C26H42N2O7/c1-14(4-7-22(32)28(27-35)13-23(33)34)17-5-6-18-24-19(12-21(31)26(17,18)3)25(2)9-8-16(29)10-15(25)11-20(24)30/h14-21,24,29-31H,4-13H2,1-3H3,(H,33,34)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H42N2O7
Molecular Weight	494.6209
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:00:05 GMT 2023` Edited by `admin` on `Sat Dec 16 08:00:05 GMT 2023`
Record UNII	U57340427Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

N-NITROSOGLYCOCHOLIC ACID

Common Name

English

GLYCINE, N-NITROSO-N-((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80998077

Created by admin on Sat Dec 16 08:00:05 GMT 2023 , Edited by admin on Sat Dec 16 08:00:05 GMT 2023

PRIMARY

CAS

76757-85-2

Created by admin on Sat Dec 16 08:00:05 GMT 2023 , Edited by admin on Sat Dec 16 08:00:05 GMT 2023

PRIMARY

PUBCHEM

23622870

Created by admin on Sat Dec 16 08:00:05 GMT 2023 , Edited by admin on Sat Dec 16 08:00:05 GMT 2023

PRIMARY

FDA UNII

U57340427Q

Created by admin on Sat Dec 16 08:00:05 GMT 2023 , Edited by admin on Sat Dec 16 08:00:05 GMT 2023

PRIMARY