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Naminidil

CAT: 0926-VIA64111-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-VIA64111-03Size:50 mg
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CAS Number
220641-11-2
MDL Number
MFCD30747839
Smiles
CC (C (C) (C) C) N=C (NC#N) NC1=CC=C (C=C1) C#N
Molecular Formula
C15H19N5
Molecular Weight
269.34 g/mol
Controlled
No

Chemical Information

Naminidil

Naminidil is a small molecule drug. The usage of the INN stem '-dil' in the name indicates that Naminidil is a vasodilator. Naminidil has a monoisotopic molecular weight of 269.16 Da.

CAS Number220641-11-2
PubChem CID158438
IUPAC Name1-cyano-3-(4-cyanophenyl)-2-[(2R)-3,3-dimethylbutan-2-yl]guanidine
Molecular FormulaC15H19N5
Molecular Weight269.34
XLogP3.5
Topological Polar Surface Area84
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity434
SMILES
C[C@H](C(C)(C)C)N=C(NC#N)NC1=CC=C(C=C1)C#N
InChI
InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-12(9-16)6-8-13/h5-8,11H,1-4H3,(H2,18,19,20)/t11-/m1/s1
InChIKey
PGYDRGZVXVVZQC-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Naminidil
CAS: 220641-11-2
CID: 158438
Formula: C15H19N5
MW: 269.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.34
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass269.16404563
Monoisotopic Mass269.16404563
Topological Polar Surface Area84 Ų
Heavy Atom Count20
Formal Charge0
Complexity434
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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