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(+)-Heliotrine

(+)-Heliotrine structure

CAS No:
303-33-3
Formula:
C16H27NO5
Chemical Name:
(+)-Heliotrine
Synonyms:
Butanoic acid,2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methyl-,[(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester,(2S)-;Heliotrine;Butanoic acid,2-hydroxy-2-(1-methoxyethyl)-3-methyl-,(2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester,[1S-[1α,7[R*(S*)],7aα]]-;(+)-Heliotrine;7S-Heliotrine

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Description

Heliotrine is a member of pyrrolizines.

(+)-Heliotrine Basic Attributes

Molecular Weight：

313.394

Exact Mass：

313.39

UNII：

ZYB88Y4FUZ

DSSTox ID：

DTXSID3075381

Characteristics

PSA：

79.2

XLogP3：

1.04

Density：

1.2±0.1 g/cm3

Melting Point：

125-126 °C

Boiling Point：

450.7±45.0 °C at 760 mmHg

Flash Point：

226.4±28.7 °C

Refractive Index：

1.541

Toxicity：

LD50 intravenous in mouse: 251mg/kg

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 1544

safety instructions：

22-36/37/39-45

Drug Information

MeSH Entry Terms：

heliotrine

Computed Properties

Molecular Weight:313.39
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:313.18892296
Monoisotopic Mass:313.18892296
Topological Polar Surface Area:79.2
Heavy Atom Count:22
Complexity:450
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (+)-Heliotrine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

(+)-Heliotrine

SDS

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