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Siramesine

Siramesine structure

CAS No:
147817-50-3
Formula:
C30H31FN2O
Chemical Name:
Siramesine
Synonyms:
Spiro[isobenzofuran-1(3H),4′-piperidine],1′-[4-[1-(4-fluorophenyl)-1H-indol-3-yl]butyl]-;1′-[4-[1-(4-Fluorophenyl)-1H-indol-3-yl]butyl]spiro[isobenzofuran-1(3H),4′-piperidine];Lu 28-179;Siramesine;1′-[4-[1-(4-Fluorophenyl)-1H-indol-3-yl]-1-butyl]spiro[isobenzofuran-1(3H),4′-piperidine]

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Siramesine Basic Attributes

Molecular Weight：

454.58

Exact Mass：

454.58

UNII：

3IX8CWR24V

DSSTox ID：

DTXSID90163810

Characteristics

PSA：

17.40000

XLogP3：

6.55170

Density：

1.19±0.1 g/cm3

Boiling Point：

611.4±55.0 °C(Predicted)

PKA：

9.45±0.20

Drug Information

Drug Indication：

Investigated for use/treatment in anxiety disorders.

MeSH Entry Terms：

1-(4-fluorophenyl)-3-(4-(4-(4-fluorophenyl)-1-piperidinyl)-1-butyl)-1H-indole

Siramesine Use and Manufacturing

Treatment of prostate cancer.

Computed Properties

Molecular Weight:454.6
XLogP3:6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:454.24204178
Monoisotopic Mass:454.24204178
Topological Polar Surface Area:17.4
Heavy Atom Count:34
Complexity:656
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Siramesine

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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