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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H21ClN2O6
Molecular Weight 444.865
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SERMETACIN

SMILES

COC1=CC=C2N(C(=O)C3=CC=C(Cl)C=C3)C(C)=C(CC(=O)N[C@@H](CO)C(O)=O)C2=C1

InChI

InChIKey=AUDFHJLSHQWFQQ-SFHVURJKSA-N
InChI=1S/C22H21ClN2O6/c1-12-16(10-20(27)24-18(11-26)22(29)30)17-9-15(31-2)7-8-19(17)25(12)21(28)13-3-5-14(23)6-4-13/h3-9,18,26H,10-11H2,1-2H3,(H,24,27)(H,29,30)/t18-/m0/s1

HIDE SMILES / InChI
Patents
Name Type Language
SERMETACIN
INN   USAN  
USAN   INN  
Official Name English
SH-G-318-AB
Code English
SERMETACIN [USAN]
Common Name English
sermetacin [INN]
Common Name English
SH G 318 AB
Code English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Fri Dec 15 15:56:53 GMT 2023 , Edited by admin on Fri Dec 15 15:56:53 GMT 2023
Code System Code Type Description
EVMPD
SUB10495MIG
Created by admin on Fri Dec 15 15:56:53 GMT 2023 , Edited by admin on Fri Dec 15 15:56:53 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107045
Created by admin on Fri Dec 15 15:56:53 GMT 2023 , Edited by admin on Fri Dec 15 15:56:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
260-873-0
Created by admin on Fri Dec 15 15:56:53 GMT 2023 , Edited by admin on Fri Dec 15 15:56:53 GMT 2023
PRIMARY
CAS
57645-05-3
Created by admin on Fri Dec 15 15:56:53 GMT 2023 , Edited by admin on Fri Dec 15 15:56:53 GMT 2023
PRIMARY
PUBCHEM
65469
Created by admin on Fri Dec 15 15:56:53 GMT 2023 , Edited by admin on Fri Dec 15 15:56:53 GMT 2023
PRIMARY
FDA UNII
04O7H69C4B
Created by admin on Fri Dec 15 15:56:53 GMT 2023 , Edited by admin on Fri Dec 15 15:56:53 GMT 2023
PRIMARY
SMS_ID
100000084118
Created by admin on Fri Dec 15 15:56:53 GMT 2023 , Edited by admin on Fri Dec 15 15:56:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID10206334
Created by admin on Fri Dec 15 15:56:53 GMT 2023 , Edited by admin on Fri Dec 15 15:56:53 GMT 2023
PRIMARY
NCI_THESAURUS
C76812
Created by admin on Fri Dec 15 15:56:53 GMT 2023 , Edited by admin on Fri Dec 15 15:56:53 GMT 2023
PRIMARY
INN
4095
Created by admin on Fri Dec 15 15:56:53 GMT 2023 , Edited by admin on Fri Dec 15 15:56:53 GMT 2023
PRIMARY