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Details

Stereochemistry ABSOLUTE
Molecular Formula 3C19H16Cl2N3O5S.Al.3H2O
Molecular Weight 1488.983
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALUMINUM DICLOXACILLIN TRIHYDRATE

SMILES

O.O.O.[Al+3].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(C)ON=C3C4=C(Cl)C=CC=C4Cl)C([O-])=O.[H][C@]56SC(C)(C)[C@@H](N5C(=O)[C@H]6NC(=O)C7=C(C)ON=C7C8=C(Cl)C=CC=C8Cl)C([O-])=O.[H][C@]9%10SC(C)(C)[C@@H](N9C(=O)[C@H]%10NC(=O)C%11=C(C)ON=C%11C%12=C(Cl)C=CC=C%12Cl)C([O-])=O

InChI

InChIKey=TWAVPPCJELARDO-QGVPZSLDSA-K
InChI=1S/3C19H17Cl2N3O5S.Al.3H2O/c3*1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;;;/h3*4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;3*1H2/q;;;+3;;;/p-3/t3*13-,14+,17-;;;;/m111..../s1

HIDE SMILES / InChI

Molecular Formula Al
Molecular Weight 26.9815
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H17Cl2N3O5S
Molecular Weight 470.326
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
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 Fri Dec 15 15:48:55 UTC 2023
Edited
by admin
on Fri Dec 15 15:48:55 UTC 2023
Record UNII
C2Y7S11EJA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALUMINUM DICLOXACILLIN TRIHYDRATE
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXAMIDO)-3,3-DIMETHYL-7-OXO-, ALUMINUM SALT (1:3), TRIHYDRATE
Systematic Name English
DICLOXACILLIN ALUMINIUM
Common Name English
Code System Code Type Description
CAS
37765-39-2
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
PRIMARY
FDA UNII
C2Y7S11EJA
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
PRIMARY
PUBCHEM
133082465
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE