CEFTAROLINE FOSAMIL ACETATE ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H21N8O8PS4.C2H4O2
Molecular Weight	744.737
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CEFTAROLINE FOSAMIL ACETATE ANHYDROUS

Structure Search

SMILES

CC(O)=O.[H][C@]12SCC(SC3=NC(=CS3)C4=CC=[N+](C)C=C4)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\C5=NSC(NP(O)([O-])=O)=N5)C(O)=O

InChI

InChIKey=UGHHNQFYEVOFIV-VRDMTWHKSA-N

InChI=1S/C22H21N8O8PS4.C2H4O2/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10;1-2(3)4/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37);1H3,(H,3,4)/b26-13-;/t14-,19-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C22H22N8O8PS4
Molecular Weight	685.693
Charge	1
Count

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

Molecular Formula	C2H3O2
Molecular Weight	59.044
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 `Fri Dec 15 18:33:25 UTC 2023` Edited by `admin` on `Fri Dec 15 18:33:25 UTC 2023`
Record UNII	EZ9W6O5S09
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEFTAROLINE FOSAMIL ACETATE ANHYDROUS

Common Name

English

PYRIDINIUM, 4-(2-(((6R,7R)-2-CARBOXY-7-(((2Z)-2-(ETHOXYIMINO)-2-(5-(PHOSPHONOAMINO)-1,2,4-THIADIAZOL-3-YL)ACETYL)AMINO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)THIO)-4-THIAZOLYL)-1-METHYL-, ACETATE (1:1)

Common Name

English

CEFTAROLINE FOSAMIL MONOACETATE [MI]

Common Name

English

Ceftaroline fosamil acetate [WHO-DD]

Common Name

English

Code System Code Type Description

CAS

400827-46-5