U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H15N.C14H14N8O4S3
Molecular Weight 651.783
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEFAZOLIN DIBENZYLAMINE

SMILES

C(NCC1=CC=CC=C1)C2=CC=CC=C2.[H][C@]34SCC(CSC5=NN=C(C)S5)=C(N3C(=O)[C@H]4NC(=O)CN6C=NN=N6)C(O)=O

InChI

InChIKey=KJBSHKDOLLUFLE-WYUVZMMLSA-N
InChI=1S/C14H14N8O4S3.C14H15N/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);1-10,15H,11-12H2/t9-,12-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C14H14N8O4S3
Molecular Weight 454.507
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C14H15N
Molecular Weight 197.2756
Charge 0
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 07:23:26 GMT 2023
Edited
by admin
on Sat Dec 16 07:23:26 GMT 2023
Record UNII
RL6HM78IGY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFAZOLIN DIBENZYLAMINE
Common Name English
CEFAZOLIN DIBENZYLAMINE SALT
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-(((5-METHYL-1,3,4-THIADIAZOL-2-YL)THIO)METHYL)-8-OXO-7-((1H-TETRAZOL-1-YLACETYL)AMINO)-, (6R,7R)-, COMPD. WITH N-(PHENYLMETHYL)BENZENEMETHANAMINE (1:1)
Systematic Name English
CEFAZOLIN-DIBENZYLAMINE SALT
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-(((5-METHYL-1,3,4-THIADIAZOL-2-YL)THIO)METHYL)-8-OXO-7-((1H-TETRAZOL-1-YLACETYL)AMINO)-, (6R-TRANS)-, COMPD. WITH N-(PHENYLMETHYL)BENZENEMETHANAMINE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70186764
Created by admin on Sat Dec 16 07:23:26 GMT 2023 , Edited by admin on Sat Dec 16 07:23:26 GMT 2023
PRIMARY
FDA UNII
RL6HM78IGY
Created by admin on Sat Dec 16 07:23:26 GMT 2023 , Edited by admin on Sat Dec 16 07:23:26 GMT 2023
PRIMARY
PUBCHEM
56843020
Created by admin on Sat Dec 16 07:23:26 GMT 2023 , Edited by admin on Sat Dec 16 07:23:26 GMT 2023
PRIMARY
CAS
33099-73-9
Created by admin on Sat Dec 16 07:23:26 GMT 2023 , Edited by admin on Sat Dec 16 07:23:26 GMT 2023
PRIMARY