Details of the Drug

General Information of Drug (ID: DMBKWUZ)

Drug Name

Tamoxifen isopropyl bromide

Synonyms

Tamoxifen isopropyl bromide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

494.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C29H36BrNO
IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-propan-2-ylazanium;bromide
Canonical SMILES: CC/C(=C(\\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)C(C)C)/C3=CC=CC=C3.[Br-]
InChI: InChI=1S/C29H36NO.BrH/c1-6-28(24-13-9-7-10-14-24)29(25-15-11-8-12-16-25)26-17-19-27(20-18-26)31-22-21-30(4,5)23(2)3;/h7-20,23H,6,21-22H2,1-5H3;1H/q+1;/p-1/b29-28-;
InChIKey: VSVUDCODHCQATR-FJBFXRHMSA-M

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Genomic action of permanently charged tamoxifen derivatives via estrogen receptor-alpha. Bioorg Med Chem. 2010 Aug 1;18(15):5593-601.