MC-02479 MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H20ClN7O5S4.CH4O3S
Molecular Weight	698.235
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.[H][C@]12SCC(SC3=C(CSCCN)C=NC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C4=C(Cl)SC(N)=N4)C(O)=O

InChI

InChIKey=HURRTNNPHQQZGF-SARAIAIISA-N

InChI=1S/C20H20ClN7O5S4.CH4O3S/c21-15-11(26-20(23)37-15)12(27-33)16(29)25-13-17(30)28-14(19(31)32)10(7-35-18(13)28)36-9-1-3-24-5-8(9)6-34-4-2-22;1-5(2,3)4/h1,3,5,13,18,33H,2,4,6-7,22H2,(H2,23,26)(H,25,29)(H,31,32);1H3,(H,2,3,4)/b27-12-;/t13-,18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C20H20ClN7O5S4
Molecular Weight	602.13
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:41:16 GMT 2023` Edited by `admin` on `Sat Dec 16 01:41:16 GMT 2023`
Record UNII	2PQ9KA78NM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MC-02479 MESYLATE

Code

English

MC-02479 MONOMETHANESULFONATE

Code

English

MC-02,479 MONOMETHANESULFONATE

Common Name

English

(6R,7R)-7-(2-(2-AMINO-5-CHLOROTHIAZOL-4-YL)-2(Z)-(HYDROXYIMINO)ACETAMIDO)-3-(3-(2-AMINOETHYLSULFANYLMETHYL)PYRIDIN-4-YLSULFANYL)-3-CEPHEM-4-CARBOXYLIC ACID METHANESULFONATE

Systematic Name

English

(6R,7R)-7-(((2Z)-2-(2-AMINO-5-CHLORO-THIAZOL-4-YL)-2-HYDROXYIMINO-ACETYL)AMINO)-3-((3-(2-AMINOETHYLSULFANYLMETHYL)-4-PYRIDYL)SULFANYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID; METHANESULFONIC ACID

Systematic Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-2-(2-AMINO-5-CHLORO-4-THIAZOLYL)-2-(HYDROXYIMINO)ACETYL)AMINO)-3-((3-(((2-AMINOETHYL)THIO)METHYL)-4-PYRIDINYL)THIO)-8-OXO-, (6R,7R)-, METHANESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

2PQ9KA78NM

Created by admin on Sat Dec 16 01:41:16 GMT 2023 , Edited by admin on Sat Dec 16 01:41:16 GMT 2023

PRIMARY

CAS

189449-59-0

Created by admin on Sat Dec 16 01:41:16 GMT 2023 , Edited by admin on Sat Dec 16 01:41:16 GMT 2023

PRIMARY

PUBCHEM

45271944

Created by admin on Sat Dec 16 01:41:16 GMT 2023 , Edited by admin on Sat Dec 16 01:41:16 GMT 2023

PRIMARY

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ACTIVE MOIETY

Amount: