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Desmethylolanzapine

Desmethylolanzapine structure

CAS No:
161696-76-0
Formula:
C16H18N4S
Chemical Name:
Desmethylolanzapine
Synonyms:
10H-Thieno[2,3-b][1,5]benzodiazepine,2-methyl-4-(1-piperazinyl)-;2-Methyl-4-(1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine;4′-Desmethylolanzapine;LY 170055;N-Demethylolanzapine;Desmethylolanzapine;N-Desmethylolanzapine;174794-03-7
Categories:
Analytical Chemistry > Standard

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Description

Brown Solid

4'-N-desmethylolanzapine is a benzodiazepine.

Desmethylolanzapine Basic Attributes

Molecular Weight：

298.40592

Exact Mass：

298.41

EC Number：

605-264-6

UNII：

C1053I7P65

DSSTox ID：

DTXSID30433226

HScode：

2934999090

Characteristics

PSA：

XLogP3：

2.93730

Density：

1.38±0.1 g/cm3(Predicted)

Melting Point：

144.5°C

Boiling Point：

489.2±55.0 °C(Predicted)

Flash Point：

13℃

Refractive Index：

1.742

Storage Conditions：

-20°C Freezer

Vapor Pressure：

1.02E-09mmHg at 25°C

Safety Information

Transport codes：

UN 1648 3 / PGII

wgk germany：

hazard class code：

11-20/21/22-36

safety instructions：

16-26-36/37

Marks：

F,Xn

Precautionary statement(s)：

P210-P305 + P351 + P338

Hazard Statements：

H225-H302-H319

GHS Classification：

|Warning|H315 (99.23%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 130 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

N-Desmethylolanzapine has known human metabolites that include 1-(2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-ol.

MeSH Entry Terms：

desmethylolanzapine

Desmethylolanzapine Use and Manufacturing

A metabolite of Olanzapine

Computed Properties

Molecular Weight:298.4
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:298.12521776
Monoisotopic Mass:298.12521776
Topological Polar Surface Area:67.9
Heavy Atom Count:21
Complexity:407
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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N-Demethyl olanzapine

CAS No.: 161696-76-0

Content: 99.00%

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