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1′-Hydroxymidazolam

1′-Hydroxymidazolam structure

CAS No:
59468-90-5
Formula:
C18H13ClFN3O
Chemical Name:
1′-Hydroxymidazolam
Synonyms:
4H-Imidazo[1,5-a][1,4]benzodiazepine-1-methanol,8-chloro-6-(2-fluorophenyl)-;8-Chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-1-methanol;Ro 21-6347;α-Hydroxymidazolam;1-Hydroxymidazolam;1′-Hydroxymidazolam;[8-Chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methanol;138614-39-8;79683-62-8;81877-60-3
Categories:
Analytical Chemistry > Standard

Description

White Solid

1-hydroxymidazolam is an imidazobenzodiazepine that is midazolam in which one of the hydrogens of the methyl group is substituted by a hydroxy group. It is the major metabolite of the anesthetic, midazolam. It has a role as a drug metabolite, a human blood serum metabolite and a human urinary metabolite. It is an imidazobenzodiazepine, an organochlorine compound, a member of monofluorobenzenes and an aromatic primary alcohol. It derives from a midazolam.

1′-Hydroxymidazolam Basic Attributes

Molecular Weight：

341.77

Exact Mass：

341.77

EC Number：

200-659-6

UNII：

E5142BN92Z

DSSTox ID：

DTXSID50208175

Characteristics

PSA：

50.4

XLogP3：

3.14

Appearance：

white or off-white

Density：

1.4±0.1 g/cm3

Melting Point：

258-260 °C

Boiling Point：

540.6±60.0 °C at 760 mmHg

Flash Point：

9℃

Refractive Index：

1.687

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN1230 - class 3 - PG 2 - Methanol, solution

wgk germany：

hazard class code：

11-23/24/25-39/23/24/25

safety instructions：

7-16-36/37-45

Marks：

F,T

Precautionary statement(s)：

P210-P260-P280-P301 + P310-P311

Hazard Statements：

H225-H301 + H311 + H331-H370

Drug Information

Metabolism/Metabolites：

1'-Hydroxymidazolam is a known human metabolite of midazolam.

MeSH Entry Terms：

1'-hydroxymidazolam

1′-Hydroxymidazolam Use and Manufacturing

A metabolite of Midazolam (M343000).

Computed Properties

Molecular Weight:341.8
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:341.0731179
Monoisotopic Mass:341.0731179
Topological Polar Surface Area:50.4
Heavy Atom Count:24
Complexity:491
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes