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4-Hydroxy Alprazolam (Compd. with methanol)

CAT: 0572-TRC-H827850-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H827850-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1216921-51-5
Synonyms
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepin-4-ol, 8-chloro-1-methyl-6-phenyl-, compd. with methanol (1:1); 4-Hydroxyalprazolam Methanoate
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CO.Cc1nnc2C(O)N=C(c3ccccc3)c4cc(Cl)ccc4n12
Molecular Formula
C17 H13 Cl N4 O . C H4 O
Molecular Weight
356.81
InChI
InChI=1S/C17H13ClN4O.CH4O/c1-10-20-21-16-17(23)19-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(10)16;1-2/h2-9,17,23H,1H3;2H,1H3
Additionnal Information
IUPAC name: 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol;methanol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol;methanol
CAS Number1216921-51-5
PubChem CID45039405
IUPAC Name8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol;methanol
Molecular FormulaC18H17ClN4O2
Molecular Weight356.8
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity470
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4.CO
InChI
InChI=1S/C17H13ClN4O.CH4O/c1-10-20-21-16-17(23)19-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(10)16;1-2/h2-9,17,23H,1H3;2H,1H3
InChIKey
GNORTZRRLGUUIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol;methanol
CAS: 1216921-51-5
CID: 45039405
Formula: C18H17ClN4O2
MW: 356.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass356.1040035
Monoisotopic Mass356.1040035
Topological Polar Surface Area83.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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