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Ajulemic acid

Ajulemic acid structure

CAS No:
137945-48-3
Formula:
C25H36O4
Chemical Name:
Ajulemic acid
Synonyms:
6H-Dibenzo[b,d]pyran-9-carboxylic acid,3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-,(6aR,10aR)-;6H-Dibenzo[b,d]pyran-9-carboxylic acid,3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-,(6aR-trans)-;(6aR,10aR)-3-(1,1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-carboxylic acid;CT 3;Ajulemic acid;(6aR,10aR)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-9-carboxylic acid;IP 751;Lenabasum;JBT 101
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Ajulemic acid has been used in trials studying the treatment of Cystic Fibrosis, Dermatomyositis, and Diffuse Cutaneous Systemic Sclerosis.

Ajulemic acid Basic Attributes

Molecular Weight：

400.55

Exact Mass：

400.55

UNII：

OGN7X90BT8

Characteristics

PSA：

66.8

XLogP3：

6.31580

Density：

1.085±0.06 g/cm3(Predicted)

Melting Point：

112-114° (sintering)

Boiling Point：

495.7±45.0 °C(Predicted)

Flash Point：

158.5ºC

Refractive Index：

1.535

Specific rotation：

D -275° (c = 3.8 in chloroform)

Drug Information

MeSH：

Compounds that interact with and stimulate the activity of CANNABINOID RECEPTORS. (See all compounds classified as Cannabinoid Receptor Agonists.)

MeSH Entry Terms：

(6aR,10aR)-1-Hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo(c)chromene-9-carboxylic acid

Computed Properties

Molecular Weight:400.5
XLogP3:7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:400.26135963
Monoisotopic Mass:400.26135963
Topological Polar Surface Area:66.8
Heavy Atom Count:29
Complexity:620
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes