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(-)-Cephaeline

(-)-Cephaeline structure

CAS No:
483-17-0
Formula:
C28H38N2O4
Chemical Name:
(-)-Cephaeline
Synonyms:
6-Isoquinolinol,1-[[(2S,3R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-1,2,3,4-tetrahydro-7-methoxy-,(1R)-;Cephaeline;Emetan-6′-ol,7′,10,11-trimethoxy-;(1R)-1-[[(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-1,2,3,4-tetrahydro-7-methoxy-6-isoquinolinol;Desmethylemetine;(-)-Cephaeline;7′,10,11-Trimethoxyemetan-6′-ol;Dihydropsychotrine;Cepheline;1390-78-9;10159-63-4
Categories:
Active Pharmaceutical Ingredients > Digestive System Drugs

Description

Cephaeline is a phenolic alkaloid in Indian Ipecac roots. Cephaeline exhibits potent inhibition of both Zika virus (ZIKV) and Ebola virus (EBOV) infections[1][2].

Cephaeline is a pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions. It derives from a hydride of an emetan.

(-)-Cephaeline Basic Attributes

Molecular Weight：

466.61232

Exact Mass：

466.61

EC Number：

207-591-6

UNII：

QA971541A1

Characteristics

PSA：

63.2

XLogP3：

4.90710

Density：

1.21±0.1 g/cm3 (20 ºC 760 Torr)

Melting Point：

115.5 °C

Boiling Point：

614ºC at 760mmHg

Flash Point：

325.1ºC

Refractive Index：

1.614

Storage Conditions：

-20°C Freezer

Specific rotation：

D20 -43.4° (c = 2 in chloroform)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

1544

Precautionary statement(s)：

P260, P264, P270, P271, P284, P301+P310, P304+P340, P310, P320, P321, P330, P403+P233, P405, P501

Hazard Statements：

H300

Drug Information

MeSH Entry Terms：

cephaelin

(-)-Cephaeline Use and Manufacturing

Has been used as an emetic and expectorant

Computed Properties

Molecular Weight:466.6
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:466.28315770
Monoisotopic Mass:466.28315770
Topological Polar Surface Area:63.2
Heavy Atom Count:34
Complexity:664
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of (-)-Cephaeline

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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cephaeline

CAS No.: 483-17-0

Grade: Industrial Grade

Content: 99%

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