YM-13115

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H17N6O10S4.3Na
Molecular Weight	710.623
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=C(C([O-])=O)C(=O)NS3)=C(N2C1=O)C([O-])=O)C4=CSC(N)=N4)C([O-])=O

InChI

InChIKey=CSTWJIMFWZQABL-HNVVXWNDSA-K

InChI=1S/C21H20N6O10S4.3Na/c1-21(2,19(35)36)37-25-9(7-5-40-20(22)23-7)13(29)24-10-14(30)27-11(17(33)34)6(3-38-15(10)27)4-39-18-8(16(31)32)12(28)26-41-18;;;/h5,10,15H,3-4H2,1-2H3,(H2,22,23)(H,24,29)(H,26,28)(H,31,32)(H,33,34)(H,35,36);;;/q;3*+1/p-3/b25-9-;;;/t10-,15-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula	C21H17N6O10S4
Molecular Weight	641.654
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:00:30 GMT 2025` Edited by `admin` on `Mon Mar 31 23:00:30 GMT 2025`
Record UNII	97ROW4597G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

YM-13115

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-3-(((4-CARBOXY-2,3-DIHYDRO-3-OXO-5-ISOTHIAZOLYL)THIO)METHYL)-8-OXO-, TRISODIUM SALT, (6R-(6.ALPHA.,7.BETA.(Z)))-

Preferred Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-(2-AMINO-4-THIAZOLYL)((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-3-(((4-CARBOXY-2,3-DIHYDRO-3-OXO-5-ISOTHIAZOLYL)THIO)METHYL)-8-OXO-, TRISODIUM SALT, (6R,7R)-

Systematic Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-(2-AMINO-4-THIAZOLYL)((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-3-(((4-CARBOXY-2,3-DIHYDRO-3-OXO-5-ISOTHIAZOLYL)THIO)METHYL)-8-OXO-, SODIUM SALT (1:3), (6R,7R)-

Systematic Name

English

Code System Code Type Description

CAS

92071-93-7

Created by admin on Mon Mar 31 23:00:30 GMT 2025 , Edited by admin on Mon Mar 31 23:00:30 GMT 2025

PRIMARY

PUBCHEM

121596615

Created by admin on Mon Mar 31 23:00:30 GMT 2025 , Edited by admin on Mon Mar 31 23:00:30 GMT 2025

PRIMARY

FDA UNII

97ROW4597G

Created by admin on Mon Mar 31 23:00:30 GMT 2025 , Edited by admin on Mon Mar 31 23:00:30 GMT 2025

PRIMARY

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