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α-Hydroxyalprazolam

α-Hydroxyalprazolam structure

CAS No:
37115-43-8
Formula:
C17H13ClN4O
Chemical Name:
α-Hydroxyalprazolam
Synonyms:
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol,8-chloro-6-phenyl-;8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-methanol;6-Phenyl-8-chloro-4H-s-triazolo[4,3-a]benzodiazepine-1-methanol;U 40125;α-Hydroxyalprazolam;1-Hydroxyalprazolam;1′-Hydroxyalprazolam;(8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol
Categories:
Analytical Chemistry > Standard

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Description

Yellow solid

α-Hydroxyalprazolam Basic Attributes

Molecular Weight：

324.76

Exact Mass：

324.76

EC Number：

200-659-6

UNII：

V7J2Z5Y50U

DSSTox ID：

DTXSID60190613

HScode：

2933990090

Characteristics

PSA：

63.3

XLogP3：

1.70

Appearance：

white to off-white powder

Density：

1.5±0.1 g/cm3

Melting Point：

204.0-206.5 °C @ Solvent: Ethyl acetate, Hexane

Boiling Point：

556.1±60.0 °C at 760 mmHg

Flash Point：

9℃

Refractive Index：

1.730

Water Solubility：

methylene chloride: ~20 mg/mL, clear, colorless to faintly yellow

Storage Conditions：

-20°C Freezer

Collision Cross Section：

173.3 Å² [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Safety Information

Transport codes：

UN1230 - class 3 - PG 2 - Methanol, solution

wgk germany：

hazard class code：

20/21/22-39/23/24/25-23/24/25-11

safety instructions：

36-45-36/37-16-7

Marks：

Xn,T,F

Precautionary statement(s)：

P210-P260-P280-P301 + P310-P311

Hazard Statements：

H225-H301 + H311 + H331-H370

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

alpha-hydroxyalprazolam

α-Hydroxyalprazolam Use and Manufacturing

A metabolite of Alprazolam, an anxiolytic

Computed Properties

Molecular Weight:324.8
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:324.0777887
Monoisotopic Mass:324.0777887
Topological Polar Surface Area:63.3
Heavy Atom Count:23
Complexity:454
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes