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Ignavine

Ignavine structure

CAS No:
1357-76-2
Formula:
C27H31NO5
Chemical Name:
Ignavine
Synonyms:
Hetisan-2,3,9,15-tetrol,2-benzoate,(2α,3β,15β)-;Ignavine;1H,4H,7H-6a,9-Ethano-5,7,10b-methenodibenz[cd,f]indole,hetisan-2,3,9,15-tetrol deriv.;58840-06-5

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Ignavine Basic Attributes

Molecular Weight：

449.544

Exact Mass：

449.54

Characteristics

PSA：

90.2

Melting Point：

172-174 °C

Toxicity：

LD50 oral in mouse: > 500mg/kg

Drug Information

MeSH Entry Terms：

ignavine

Computed Properties

Molecular Weight:449.5
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:449.22022309
Monoisotopic Mass:449.22022309
Topological Polar Surface Area:90.2
Heavy Atom Count:33
Complexity:978
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ignavine

Basic Attributes
Characteristics
Drug Information
Computed Properties

Ignavine

SDS

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