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

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

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	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:48:51 GMT 2025` Edited by `admin` on `Mon Mar 31 21:48:51 GMT 2025`
Record UNII	U57340427Q
Record Status	`Validated (UNII)`
Record Version

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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)-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID80998077

Created by admin on Mon Mar 31 21:48:51 GMT 2025 , Edited by admin on Mon Mar 31 21:48:51 GMT 2025

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CAS

76757-85-2

Created by admin on Mon Mar 31 21:48:51 GMT 2025 , Edited by admin on Mon Mar 31 21:48:51 GMT 2025

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PUBCHEM

23622870

Created by admin on Mon Mar 31 21:48:51 GMT 2025 , Edited by admin on Mon Mar 31 21:48:51 GMT 2025

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FDA UNII

U57340427Q

Created by admin on Mon Mar 31 21:48:51 GMT 2025 , Edited by admin on Mon Mar 31 21:48:51 GMT 2025

PRIMARY