Alniditan 1mg

CAT: 0628-A19801-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A19801-1Size:1 mg

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CAS Number

152317-89-0

Chemical Information

Alniditan

Alniditan is a small molecule drug. Alniditan has a monoisotopic molecular weight of 302.21 Da.

CAS Number	152317-89-0
PubChem CID	66004
IUPAC Name	N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
Molecular Formula	C17H26N4O
Molecular Weight	302.4
XLogP	2
Topological Polar Surface Area	57.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	361

SMILES

C1CNC(=NC1)NCCCNC[C@H]2CCC3=CC=CC=C3O2

InChI

InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1

InChIKey

QVSXOXCYXPQXMF-OAHLLOKOSA-N

Chemical Structure

2D Structure

CAS: 152317-89-0

CID: 66004

Formula: C17H26N4O

MW: 302.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.4
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	302.21066147
Monoisotopic Mass	302.21066147
Topological Polar Surface Area	57.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	361
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes