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1,4-Cyclohexanedimethanamine, N1,N4-bis[(2-chlorophenyl)methyl]-, hydrochloride (1:2), trans-

1,4-Cyclohexanedimethanamine, N1,N4-bis[(2-chlorophenyl)methyl]-, hydrochloride (1:2), trans- structure

CAS No:
366-93-8
Formula:
C22H28Cl2N2.2ClH
Chemical Name:
1,4-Cyclohexanedimethanamine, N1,N4-bis[(2-chlorophenyl)methyl]-, hydrochloride (1:2), trans-
Synonyms:
1,4-Cyclohexanedimethanamine,N1,N4-bis[(2-chlorophenyl)methyl]-,hydrochloride (1:2),trans-;1,4-Cyclohexanebis(methylamine),N,N′-bis(o-chlorobenzyl)-,dihydrochloride,trans-;1,4-Cyclohexanedimethanamine,N,N′-bis[(2-chlorophenyl)methyl]-,dihydrochloride,trans-;AY 9944;N,N′-Bis(o-chlorobenzyl)-trans-1,4-cyclohexanebis(methylamine) dihydrochloride;trans-N,N′-Bis(o-chlorobenzyl)-1,4-cyclohexanebis(methylamine) dihydrochloride

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Description

An anti-cholesteremic agent that inhibits delta 7-reductase, delta 14 reductase, and sterol biosynthesis.

1,4-Cyclohexanedimethanamine, N1,N4-bis[(2-chlorophenyl)methyl]-, hydrochloride (1:2), trans- Basic Attributes

Molecular Weight：

464.3

Exact Mass：

464.113360 g/mol

Characteristics

PSA：

24.06000

XLogP3：

8.06500

Melting Point：

288-293.5 °C(lit.)

Boiling Point：

497.7ºC at 760mmHg

Flash Point：

254.8ºC

Toxicity：

LD50 orl-mus: 155 mg/kg PSEBAA 139,100,72

Safety Information

Hazard category：

6.1

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

36/37/38-50/53

safety instructions：

26-60-61

RTECS Number：

GU7025000

Marks：

Xi,N

GHS Classification：

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)|Substances used to lower plasma cholesterol levels. (See all compounds classified as Anticholesteremic Agents.)

MeSH Entry Terms：

A-7, AY9944

1,4-Cyclohexanedimethanamine, N1,N4-bis[(2-chlorophenyl)methyl]-, hydrochloride (1:2), trans- Use and Manufacturing

Cholesterol synthesis inhibitor; inhibits both 7-dehydrocholesterol 7-reductase and 8,7-sterol isomerase. A sonic hedgehog inhibitor

Computed Properties

Molecular Weight:464.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:464.113360
Monoisotopic Mass:462.116310
Topological Polar Surface Area:24.1
Heavy Atom Count:28
Complexity:348
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 1,4-Cyclohexanedimethanamine, N1,N4-bis[(2-chlorophenyl)methyl]-, hydrochloride (1:2), trans-

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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