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3-Hydroxy Carbamazepine

CAT: 0024-sc-209591Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0024-sc-209591Size:500 µg
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CAS Number
68011-67-6

Chemical Information

3-Hydroxycarbamazepine

3-Hydroxycarbamazepine is a dibenzoazepine and a member of ureas.

CAS Number68011-67-6
PubChem CID135290
IUPAC Name2-hydroxybenzo[b][1]benzazepine-11-carboxamide
Molecular FormulaC15H12N2O2
Molecular Weight252.27
XLogP2.1
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity382
SMILES
C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=C(C=C3)O
InChI
InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)
InChIKey
QQCFBZCATDIWTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxycarbamazepine
CAS: 68011-67-6
CID: 135290
Formula: C15H12N2O2
MW: 252.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.27
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass252.089877630
Monoisotopic Mass252.089877630
Topological Polar Surface Area66.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS6040348-013-Hydroxy Carbamazepine
0135412-Hydroxy Carbamazepine
4258973-Hydroxy Carbamazepine tert-Butyldimethylsilyl Ether
TRC-H884110-25MG3-Hydroxy Carbamazepine beta-D-Glucuronide
TRC-D449135-50MG10,11-Dihydro-10-hydroxy Carbamazepine
TRC-H884095-5MG2-Hydroxy Carbamazepine Beta-D-Glucuronide
AR-C01344-01Carbamazepine Impurity 3
TRC-D449138-10MG10,11-Dihydro-10-hydroxy Carbamazepine-d3
FC19679-01Carbamazepine

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