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Tomatidine

Tomatidine structure

CAS No:
77-59-8
Formula:
C27H45NO2
Chemical Name:
Tomatidine
Synonyms:
Spirosolan-3-ol,(3β,5α,22β,25S)-;5α-Tomatidan-3β-ol;Tomatidine;(3β,5α,22β,25S)-Spirosolan-3-ol;Tomatidin;NSC 226903;Spirosolan-3-ol,(3β,5α,22α)-;894413-06-0;894494-73-6
Categories:
Natural Products > Alkaloids

Description

Tomatidine acts as an anti-inflammatory agent by blocking NF-κB and JNK signaling.

Tomatidine is a 3beta-hydroxy steroid resulting from the substitution of the 3beta-hydrogen of tomatidane by a hydroxy group. It is an azaspiro compound, an oxaspiro compound and a 3beta-hydroxy steroid. It is a conjugate base of a tomatidine(1+). It derives from a hydride of a tomatidane.

Tomatidine Basic Attributes

Molecular Weight：

415.65

Exact Mass：

415.65

EC Number：

201-040-3

UNII：

2B73S48786

DSSTox ID：

DTXSID0037102

Characteristics

PSA：

41.5

XLogP3：

6.15

Density：

1.1±0.1 g/cm3

Melting Point：

210.5 °C

Boiling Point：

527.2±25.0 °C at 760 mmHg

Flash Point：

272.7±23.2 °C

Refractive Index：

1.560

Specific rotation：

D25 +8° (chloroform)

Safety Information

Transport codes：

1544

hazard class code：

23/25

safety instructions：

1-45

Precautionary statement(s)：

P261, P264, P270, P271, P301+P310, P301+P312, P304+P340, P311, P321, P330, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P301+P310, P301+P312, P304+P340, P311, P321, P330, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5 alpha,20 beta(F),22 alpha(F),25 beta(F),27- azaspirostan-3 beta-ol

Tomatidine Use and Manufacturing

Lycopene has antibacterial, anti-inflammatory, antihistamine, heart strengthening and anticancer effects.

Computed Properties

Molecular Weight:415.7
XLogP3:6.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:415.345029678
Monoisotopic Mass:415.345029678
Topological Polar Surface Area:41.5
Heavy Atom Count:30
Complexity:696
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 77-59-8

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CAS No.: 77-59-8

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Guide of Tomatidine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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