BBR-2160

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H25N3O7S
Molecular Weight	463.504
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)C1=C(CSCCNC=O)NC(C)=C(C1C2=CC=CC(=C2)[N+]([O-])=O)C(=O)OC

InChI

InChIKey=CLMNTOZRDYXVRT-UHFFFAOYSA-N

InChI=1S/C21H25N3O7S/c1-4-31-21(27)19-16(11-32-9-8-22-12-25)23-13(2)17(20(26)30-3)18(19)14-6-5-7-15(10-14)24(28)29/h5-7,10,12,18,23H,4,8-9,11H2,1-3H3,(H,22,25)

HIDE SMILES / InChI

Molecular Formula	C21H25N3O7S
Molecular Weight	463.504
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:55:17 GMT 2025` Edited by `admin` on `Mon Mar 31 22:55:17 GMT 2025`
Record UNII	GDI0D01TM4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BBR-2160

Common Name

English

3,5-PYRIDINEDICARBOXYLIC ACID, 2-(((2-(FORMYLAMINO)ETHYL)THIO)METHYL)-1,4-DIHYDRO-6-METHYL-4-(3-NITROPHENYL)-, 3-ETHYL 5-METHYL ESTER

Preferred Name

English

Code System Code Type Description

PUBCHEM

195267

Created by admin on Mon Mar 31 22:55:17 GMT 2025 , Edited by admin on Mon Mar 31 22:55:17 GMT 2025

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EPA CompTox

DTXSID90922722

Created by admin on Mon Mar 31 22:55:17 GMT 2025 , Edited by admin on Mon Mar 31 22:55:17 GMT 2025

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FDA UNII

GDI0D01TM4

Created by admin on Mon Mar 31 22:55:17 GMT 2025 , Edited by admin on Mon Mar 31 22:55:17 GMT 2025

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CAS

118587-22-7

Created by admin on Mon Mar 31 22:55:17 GMT 2025 , Edited by admin on Mon Mar 31 22:55:17 GMT 2025

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