Cefoxitin, Δ2-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H17N3O7S2
Molecular Weight	427.452
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SC=C(COC(N)=O)[C@@H](N1C(=O)[C@]2(NC(=O)CC3=CC=CS3)OC)C(O)=O

InChI

InChIKey=FNLHDPKGLFRMLP-XFJVYGCCSA-N

InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,7,11,14H,5-6H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t11-,14-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H17N3O7S2
Molecular Weight	427.452
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:35:58 GMT 2023` Edited by `admin` on `Sat Dec 16 19:35:58 GMT 2023`
Record UNII	X43XV36Z6A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cefoxitin, Δ2-

Common Name

English

5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, (2R,6R,7S)-

Systematic Name

English

(2R,6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systematic Name

English

Δ2-Cefoxitin

Common Name

English

(2R,6R,7S)-3-[[(Aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

X43XV36Z6A

Created by admin on Sat Dec 16 19:35:58 GMT 2023 , Edited by admin on Sat Dec 16 19:35:58 GMT 2023

PRIMARY

CAS

1422023-32-2

Created by admin on Sat Dec 16 19:35:58 GMT 2023 , Edited by admin on Sat Dec 16 19:35:58 GMT 2023

PRIMARY

Related Record Type Details


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CEFOXITIN SODIUM

PARENT -> IMPURITY

Comments:

ONE OF THE ISOMER (R) OF CEFOXITIN SODIUM IMPURITY B [EP IMPURITY]

Amount: