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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24N6O5S2.H2O4S
Molecular Weight 626.682
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CEFQUINOME SULFATE

SMILES

OS(O)(=O)=O.[H][C@]12SCC(C[N+]3=C4CCCCC4=CC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C5=CSC(N)=N5)C([O-])=O

InChI

InChIKey=KYOHRXSGUROPGY-OFNLCGNNSA-N
InChI=1S/C23H24N6O5S2.H2O4S/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28;1-5(2,3)4/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33);(H2,1,2,3,4)/b27-16-;/t17-,21-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CEFQUINOME SULFATE
MART.   MI   USAN  
USAN  
Official Name English
CEFQUINOME SULFATE [MART.]
Common Name English
HR111V-SULFATE
Code English
CEFQUINOME SULFATE [USAN]
Common Name English
CEFQUINOME SULFATE [MI]
Common Name English
QUINOLINIUM, 1-((7-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-5,6,7,8-TETRAHYDRO-, HYDROXIDE, INNER SALT, (6R-(6.ALPHA.,7.BETA.(Z)))-, SULFATE (1:1)
Common Name English
QUINOLINIUM, 1-((7-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-5,6,7,8-TETRAHYDRO-, HYDROXIDE, INNER SALT, (6R-(6.ALPHA.,7.BETA.(Z)))-, SULPHATE (1:1)
Common Name English
HR-111V-SULFATE
Code English
HR111V-SULPHATE
Common Name English
CEFQUINOME SULPHATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C357
Created by admin on Fri Dec 15 15:52:44 UTC 2023 , Edited by admin on Fri Dec 15 15:52:44 UTC 2023
Code System Code Type Description
PUBCHEM
9577261
Created by admin on Fri Dec 15 15:52:44 UTC 2023 , Edited by admin on Fri Dec 15 15:52:44 UTC 2023
PRIMARY
ChEMBL
CHEMBL1631107
Created by admin on Fri Dec 15 15:52:44 UTC 2023 , Edited by admin on Fri Dec 15 15:52:44 UTC 2023
PRIMARY
CAS
118443-89-3
Created by admin on Fri Dec 15 15:52:44 UTC 2023 , Edited by admin on Fri Dec 15 15:52:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID6048593
Created by admin on Fri Dec 15 15:52:44 UTC 2023 , Edited by admin on Fri Dec 15 15:52:44 UTC 2023
PRIMARY
SMS_ID
300000023790
Created by admin on Fri Dec 15 15:52:44 UTC 2023 , Edited by admin on Fri Dec 15 15:52:44 UTC 2023
PRIMARY
MERCK INDEX
m3214
Created by admin on Fri Dec 15 15:52:44 UTC 2023 , Edited by admin on Fri Dec 15 15:52:44 UTC 2023
PRIMARY Merck Index
FDA UNII
3858K104DQ
Created by admin on Fri Dec 15 15:52:44 UTC 2023 , Edited by admin on Fri Dec 15 15:52:44 UTC 2023
PRIMARY
NCI_THESAURUS
C81032
Created by admin on Fri Dec 15 15:52:44 UTC 2023 , Edited by admin on Fri Dec 15 15:52:44 UTC 2023
PRIMARY
USAN
HH-33
Created by admin on Fri Dec 15 15:52:44 UTC 2023 , Edited by admin on Fri Dec 15 15:52:44 UTC 2023
PRIMARY