CEFIDEROCOL SULFATE TOSYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	3C30H35ClN7O10S2.4C7H7O3S.O4S.3H.H2O
Molecular Weight	3061.545
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of CEFIDEROCOL SULFATE TOSYLATE

Structure Search

SMILES

[H+].[H+].[H+].O.[O-]S([O-])(=O)=O.CC1=CC=C(C=C1)S([O-])(=O)=O.CC2=CC=C(C=C2)S([O-])(=O)=O.CC3=CC=C(C=C3)S([O-])(=O)=O.CC4=CC=C(C=C4)S([O-])(=O)=O.[H][C@]56SCC(C[N+]8(CCNC(=O)C7=C(Cl)C(O)=C(O)C=C7)CCCC8)=C(N5C(=O)[C@H]6NC(=O)C(=N/OC(C)(C)C(O)=O)\C9=CSC(N)=N9)C(O)=O.[H][C@]%10%11SCC(C[N+]%13(CCNC(=O)C%12=C(Cl)C(O)=C(O)C=C%12)CCCC%13)=C(N%10C(=O)[C@H]%11NC(=O)C(=N/OC(C)(C)C(O)=O)\C%14=CSC(N)=N%14)C(O)=O.[H][C@]%15%16SCC(C[N+]%18(CCNC(=O)C%17=C(Cl)C(O)=C(O)C=C%17)CCCC%18)=C(N%15C(=O)[C@H]%16NC(=O)C(=N/OC(C)(C)C(O)=O)\C%19=CSC(N)=N%19)C(O)=O

InChI

InChIKey=QNMVZYPDWLKAJC-RXVBEKIDSA-N

InChI=1S/3C30H34ClN7O10S2.4C7H8O3S.H2O4S.H2O/c3*1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31;4*1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4;/h3*5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47);4*2-5H,1H3,(H,8,9,10);(H2,1,2,3,4);1H2/t3*20-,26-;;;;;;/m111....../s1

HIDE SMILES / InChI

Molecular Formula	C7H7O3S
Molecular Weight	171.194
Charge	-1
Count

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

Molecular Formula	O4S
Molecular Weight	96.063
Charge	-2
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C30H35ClN7O10S2
Molecular Weight	753.223
Charge	1
Count

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

Molecular Formula	H
Molecular Weight	1.0079
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 `Sat Dec 16 14:50:57 UTC 2023` Edited by `admin` on `Sat Dec 16 14:50:57 UTC 2023`
Record UNII	TTP8LBP45D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEFIDEROCOL SULFATE TOSYLATE

Official Name

English

S-649266D

Code

English

CEFIDEROCOL TOSILATE SULFATE HYDRATE [JAN]

Common Name

English

CEFIDEROCOL SULFATE TOSYLATE [MI]

Common Name

English

FETROJA

Brand Name

English

GSK-2696266D

Code

English

CEFIDEROCOL SULFATE TOSYLATE [ORANGE BOOK]

Common Name

English

CEFIDEROCOL SULFATE TOSYLATE [USAN]

Common Name

English

PYRROLIDINIUM, 1-(((6R,7R)-7-(((2Z)-2-(2-AMINO-4-THIAZOLYL)-2-((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-1-(2-((2-CHLORO-3,4-DIHYDROXYBENZOYL)AMINO)ETHYL)-, 4-METHYLBENZENESULFONATE SULF

Systematic Name

English

Cefiderocol sulfate tosylate [WHO-DD]

Common Name

English

CEFIDEROCOL TOSILATE SULFATE HYDRATE

Common Name

English

GSK2696266D

Code

English

Code System Code Type Description

RXCUI

2265863