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Resiniferatoxin

Resiniferatoxin structure

CAS No:
57444-62-9
Formula:
C37H40O9
Chemical Name:
Resiniferatoxin
Synonyms:
Benzeneacetic acid,4-hydroxy-3-methoxy-,[(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl ester;Daphnetoxin,6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-,20-(4-hydroxy-3-methoxybenzeneacetate);Benzeneacetic acid,4-hydroxy-3-methoxy-,[3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl ester,[2S-(2α,3aβ,3bβ,6aβ,9aα,9bα,10α,11aβ)]-;Resiniferatoxin;(+)-Resiniferatoxin;RTX;[(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-11a-(prop-1-en-2-yl)-7-oxo-3a,6,6a,7,9a,10,11,11a-octahydro-3bH-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Resiniferatoxin Basic Attributes

Molecular Weight：

628.70800

Exact Mass：

628.71

Characteristics

PSA：

120.75000

XLogP3：

4.74470

Density：

1.35g/cm3

Boiling Point：

768.7ºC at 760mmHg

Flash Point：

240.3ºC

Refractive Index：

1.643

Storage Conditions：

-20ºC

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2928 6.1/PG 2

wgk germany：

hazard class code：

R25; R35

RTECS Number：

CY1633700

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

reciniferatoxin

Computed Properties

Molecular Weight:628.7
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:628.26723285
Monoisotopic Mass:628.26723285
Topological Polar Surface Area:121
Heavy Atom Count:46
Complexity:1330
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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RESINIFERATOXIN

CAS No.: 57444-62-9

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