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Details

Stereochemistry ACHIRAL
Molecular Formula C15H12N2O.2H2O
Molecular Weight 272.2991
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBAMAZEPINE DIHYDRATE

SMILES

O.O.NC(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C13

InChI

InChIKey=UPTJXAHTRRBMJE-UHFFFAOYSA-N
InChI=1S/C15H12N2O.2H2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17;;/h1-10H,(H2,16,18);2*1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H12N2O
Molecular Weight 236.2686
Charge 0
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 19:17:47 UTC 2023
Edited
by admin
on Fri Dec 15 19:17:47 UTC 2023
Record UNII
78M1RMW7Q8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBAMAZEPINE DIHYDRATE
Common Name English
5H-DIBENZ(B,F)AZEPINE-5-CARBOXAMIDE, HYDRATE (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
158856
Created by admin on Fri Dec 15 19:17:47 UTC 2023 , Edited by admin on Fri Dec 15 19:17:47 UTC 2023
PRIMARY
CAS
85756-57-6
Created by admin on Fri Dec 15 19:17:47 UTC 2023 , Edited by admin on Fri Dec 15 19:17:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID00235052
Created by admin on Fri Dec 15 19:17:47 UTC 2023 , Edited by admin on Fri Dec 15 19:17:47 UTC 2023
PRIMARY
FDA UNII
78M1RMW7Q8
Created by admin on Fri Dec 15 19:17:47 UTC 2023 , Edited by admin on Fri Dec 15 19:17:47 UTC 2023
PRIMARY
Related Record Type Details
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ANHYDROUS->SOLVATE