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Hirsutine

Hirsutine structure

CAS No:
7729-23-9
Formula:
C22H28N2O3
Chemical Name:
Hirsutine
Synonyms:
Indolo[2,3-a]quinolizine-2-acetic acid,3-ethyl-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-,methyl ester,(αE,2S,3R,12bR)-;Hirsutine;17,18-Seco-3β-yohimban-16-carboxylic acid,16,17-didehydro-17-methoxy-,methyl ester,(E)-;Corynan-16-carboxylic acid,16,17-didehydro-17-methoxy-,methyl ester,(3β,16E)-;Hirsutine (Mitragyna);Indolo[2,3-a]quinolizine-2-acetic acid,3-ethyl-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-,methyl ester,[2S-[2α(E),3β,12bα]]-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Hirsutine, an indole alkaloid of Uncaria rhynchophylla, exhibits anti-cancer activity. Hirsutine induces apoptosis and is a potent Dengue virus inhibitor exhibiting low cytotoxicity[1][2][3].

Hirsutine Basic Attributes

Molecular Weight：

368.477

Exact Mass：

368.47

UNII：

W596OF93C7

Characteristics

PSA：

54.6

XLogP3：

3.96

Density：

1.2±0.1 g/cm3

Melting Point：

101 °C

Boiling Point：

531.7±50.0 °C at 760 mmHg

Flash Point：

275.4±30.1 °C

Refractive Index：

1.613

Drug Information

MeSH Entry Terms：

18,19-dihydrocorynantheine

Computed Properties

Molecular Weight:368.5
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:368.20999276
Monoisotopic Mass:368.20999276
Topological Polar Surface Area:54.6
Heavy Atom Count:27
Complexity:578
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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