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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C19H19N3O5S.C16H20N2
Molecular Weight 1043.216
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXACILLIN BENZATHINE

SMILES

C(CNCC1=CC=CC=C1)NCC2=CC=CC=C2.[H][C@]34SC(C)(C)[C@@H](N3C(=O)[C@H]4NC(=O)C5=C(C)ON=C5C6=CC=CC=C6)C(O)=O.[H][C@]78SC(C)(C)[C@@H](N7C(=O)[C@H]8NC(=O)C9=C(C)ON=C9C%10=CC=CC=C%10)C(O)=O

InChI

InChIKey=YAYWMARUVKROAQ-VZHMHXRYSA-N
InChI=1S/2C19H19N3O5S.C16H20N2/c2*1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);1-10,17-18H,11-14H2/t2*13-,14+,17-;/m11./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
OXACILLIN BENZATHINE
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXAMIDO)-7-OXO-, COMPD. WITH N,N'-DIBENZYLETHYLENEDIAMINE (2:1)
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(((5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-, COMPD. WITH N,N'-BIS(PHENYLMETHYL)-1,2-ETHANEDIAMINE (2:1)
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(((5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-, (2S,5R,6R)-, COMPD. WITH N,N'-BIS(PHENYLMETHYL)-1,2-ETHANEDIAMINE (2:1)
Systematic Name English
ETHYLENEDIAMINE, N,N'-DIBENZYL-, BIS(3,3-DIMETHYL-6-(5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXAMIDO)-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE)
Common Name English
1,2-ETHANEDIAMINE, N,N'-BIS(PHENYLMETHYL)-, BIS((2S,5R,6R)-3,3-DIMETHYL-6-(((5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE)
Common Name English
1,2-ETHANEDIAMINE, N,N'-BIS(PHENYLMETHYL)-, BIS((2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-3,3-DIMETHYL-6-(((5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE)
Common Name English
Code System Code Type Description
PUBCHEM
13175187
Created by admin on Sat Dec 16 09:32:37 UTC 2023 , Edited by admin on Sat Dec 16 09:32:37 UTC 2023
PRIMARY
SMS_ID
300000030952
Created by admin on Sat Dec 16 09:32:37 UTC 2023 , Edited by admin on Sat Dec 16 09:32:37 UTC 2023
PRIMARY
CAS
916-96-1
Created by admin on Sat Dec 16 09:32:37 UTC 2023 , Edited by admin on Sat Dec 16 09:32:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID20238646
Created by admin on Sat Dec 16 09:32:37 UTC 2023 , Edited by admin on Sat Dec 16 09:32:37 UTC 2023
PRIMARY
FDA UNII
FUQ24YT1C9
Created by admin on Sat Dec 16 09:32:37 UTC 2023 , Edited by admin on Sat Dec 16 09:32:37 UTC 2023
PRIMARY
ECHA (EC/EINECS)
213-024-3
Created by admin on Sat Dec 16 09:32:37 UTC 2023 , Edited by admin on Sat Dec 16 09:32:37 UTC 2023
PRIMARY