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4-Hydroxy Triazolam

CAT: 1596-AR-T03578-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T03578-03Size:50 Units
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CAS Number
65686-11-5
Synonyms
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepin-4-ol, 8-chloro-6- (2-chlorophenyl) -1-methyl-
Molecular Formula
C17H12Cl2N4O
Molecular Weight
359.21
API Name
Triazolam

Chemical Information

4-Hydroxytriazolam

4-hydroxytriazolam is a triazolobenzodiazepine.

CAS Number65686-11-5
PubChem CID128260
IUPAC Name8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.2
XLogP1.9
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity505
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4Cl
InChI
InChI=1S/C17H12Cl2N4O/c1-9-21-22-16-17(24)20-15(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)23(9)16/h2-8,17,24H,1H3
InChIKey
YUQRFPYHTPARRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxytriazolam
CAS: 65686-11-5
CID: 128260
Formula: C17H12Cl2N4O
MW: 359.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.2
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass358.0388164
Monoisotopic Mass358.0388164
Topological Polar Surface Area63.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BML-J131-00054-hydroxy-Triazolam
TRC-H971330-10MG4-Hydroxy Triazolam
TRC-H971325-5MG1'-Hydroxy Triazolam
TRC-H971335-25MG4-Hydroxy Triazolam beta-D-Glucuronide
CS-O-389594-Hydroxy Triazolam b-D-Glucuronide
279226-011'-Hydroxy triazolam discontinued
411559-011’-Hydroxy Triazolam discontinued
TRC-H971327-50MG1’-Hydroxy Triazolam-d4
FD22065-011',4-Dihydroxy triazolam
TRC-D455035-5MG1’,4-Dihydroxy Triazolam

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