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(+)-Cuparene

(+)-Cuparene structure

CAS No:
16982-00-6
Formula:
C15H22
Chemical Name:
(+)-Cuparene
Synonyms:
Benzene,1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]-;Toluene,p-(1,2,2-trimethylcyclopentyl)-,(R)-(+)-;Benzene,1-methyl-4-(1,2,2-trimethylcyclopentyl)-,(R)-;Cuparene;1-Methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene;(+)-Cuparene;Cuparene,(+)-;(R)-Cuparene;(R)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene;509-01-3
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Cuparene is a sesquiterpenoid.

(+)-Cuparene Basic Attributes

Molecular Weight：

202.34

Exact Mass：

202.34

EC Number：

241-061-5

UNII：

24IR5X2B93

DSSTox ID：

DTXSID70168762

Characteristics

PSA：

0 Å²

Density：

0.937 g/mL at 20 °C(lit.)

Boiling Point：

275 °C(lit.)

Refractive Index：

n20/D 1.523

Safety Information

wgk germany：

hazard class code：

safety instructions：

26-36

Marks：

GHS Classification：

|Danger|H302 (88.41%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P310, P301+P312, P330, P331, P405, and P501|Aggregated GHS information provided by 69 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

cuparene

(+)-Cuparene Use and Manufacturing

Use Classification：

Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]

Computed Properties

Molecular Weight:202.33
XLogP3:5.5
Rotatable Bond Count:1
Exact Mass:202.172150702
Monoisotopic Mass:202.172150702
Heavy Atom Count:15
Complexity:220
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes