CEPHALOTHIN HEMI(TRANS-1,4-BIS(AMINOMETHYL)CYCLOHEXANE)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H16N2O6S2.C8H18N2
Molecular Weight	538.68
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CEPHALOTHIN HEMI(TRANS-1,4-BIS(AMINOMETHYL)CYCLOHEXANE)

Structure Search

SMILES

NC[C@H]1CC[C@H](CN)CC1.[H][C@]23SCC(COC(C)=O)=C(N2C(=O)[C@H]3NC(=O)CC4=CC=CS4)C(O)=O

InChI

InChIKey=IJGMMRGFMSDAGX-FBXLDSNPSA-N

InChI=1S/C16H16N2O6S2.C8H18N2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;9-5-7-1-2-8(6-10)4-3-7/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);7-8H,1-6,9-10H2/t12-,15-;7-,8-/m1./s1

HIDE SMILES / InChI

Molecular Formula	C8H18N2
Molecular Weight	142.2419
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C16H16N2O6S2
Molecular Weight	396.438
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:08:27 UTC 2023` Edited by `admin` on `Sat Dec 16 14:08:27 UTC 2023`
Record UNII	2QFS1UDW47
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEPHALOTHIN HEMI(TRANS-1,4-BIS(AMINOMETHYL)CYCLOHEXANE)

Systematic Name

English

1,4-CYCLOHEXANEDIMETHANAMINE, TRANS-, BIS((6R-TRANS)-3-((ACETYLOXY)METHYL)-8-OXO-7-((2-THIENYLACETYL)AMINO)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE)

Systematic Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-8-OXO-7-((2-THIENYLACETYL)AMINO)-, (6R-TRANS)-, COMPD. WITH TRANS-1,4-CYCLOHEXANEDIMETHANAMINE (2:1)

Common Name

English

Code System Code Type Description

CAS

23277-68-1

Created by admin on Sat Dec 16 14:08:27 UTC 2023 , Edited by admin on Sat Dec 16 14:08:27 UTC 2023

PRIMARY

FDA UNII

2QFS1UDW47

Created by admin on Sat Dec 16 14:08:27 UTC 2023 , Edited by admin on Sat Dec 16 14:08:27 UTC 2023

PRIMARY

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