Pemirolast

CAT: 1299-RM-P052700-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P052700-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

69372-19-6

Molecular Formula

C10H8N6O

Molecular Weight

228.21

Product Name Synonym

9-methyl-3- (1H-tetrazol-5-yl) -4H-pyrido[1,2-a]pyrimidin-4-one

Chemical Information

Pemirolast

Pemirolast is a pyridopyrimidine.

CAS Number	69372-19-6
PubChem CID	57697
IUPAC Name	9-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
Molecular Formula	C10H8N6O
Molecular Weight	228.21
XLogP	-0.3
Topological Polar Surface Area	87.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	489

SMILES

CC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3

InChI

InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)

InChIKey

HIANJWSAHKJQTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69372-19-6

CID: 57697

Formula: C10H8N6O

MW: 228.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.21
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	228.07595890
Monoisotopic Mass	228.07595890
Topological Polar Surface Area	87.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	489
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes