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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H22N5O6S.Na
Molecular Weight 543.527
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APALCILLIN SODIUM

SMILES

[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)C3=CN=C4C=CC=NC4=C3O)C5=CC=CC=C5)C([O-])=O

InChI

InChIKey=DIGBQDMXLUJMHN-FSWJYKAZSA-M
InChI=1S/C25H23N5O6S.Na/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31;/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36);/q;+1/p-1/t15-,17-,19+,23-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
APALCILLIN SODIUM
MART.   USAN   WHO-DD  
USAN  
Official Name English
WY-44,417 SODIUM
Code English
APALCILLIN SODIUM [USAN]
Common Name English
APALCILLIN SODIUM SALT [MI]
Common Name English
Sodium (2S,5R,6R)-6-[(R)-2-(4-hydroxy-1,5-naphthyridine-3-carboxamido)-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Systematic Name English
APALCILLIN SODIUM [MART.]
Common Name English
APALCILLIN SODIUM SALT
MI  
Common Name English
WY-44417 SODIUM
Code English
APALCILLIN SODIUM [JAN]
Common Name English
Apalcillin sodium [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1500
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
Code System Code Type Description
CAS
58795-03-2
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
PRIMARY
NCI_THESAURUS
C76218
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
PRIMARY
SMS_ID
100000085185
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL3306902
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID00974318
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
PRIMARY
CHEBI
51697
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
PRIMARY
FDA UNII
3XQ12NYC0Q
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
PRIMARY
MERCK INDEX
m1980
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
261-446-1
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
PRIMARY
PUBCHEM
23663957
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
PRIMARY
EVMPD
SUB00556MIG
Created by admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
PRIMARY