Granisetron EP Impurity I

CAT: 1299-RM-G121909-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-G121909-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

1363173-34-5

Synonyms

1-methyl-1H-indazole-3-carboxylic anhydride

Molecular Formula

C18H14N4O3

Molecular Weight

334.33

Target Alternative Name

Granisetron

Product Name Synonym

1-methyl-1H-indazole-3-carboxylic anhydride

Chemical Information

1-Methyl-1H-indazole-3-carboxylic Anhydride

CAS Number	1363173-34-5
PubChem CID	125374366
IUPAC Name	(1-methylindazole-3-carbonyl) 1-methylindazole-3-carboxylate
Molecular Formula	C18H14N4O3
Molecular Weight	334.3
XLogP	3.2
Topological Polar Surface Area	79
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	496

SMILES

CN1C2=CC=CC=C2C(=N1)C(=O)OC(=O)C3=NN(C4=CC=CC=C43)C

InChI

InChI=1S/C18H14N4O3/c1-21-13-9-5-3-7-11(13)15(19-21)17(23)25-18(24)16-12-8-4-6-10-14(12)22(2)20-16/h3-10H,1-2H3

InChIKey

WXKUAYVKUKAIQR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1363173-34-5

CID: 125374366

Formula: C18H14N4O3

MW: 334.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	334.3
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	334.10659032
Monoisotopic Mass	334.10659032
Topological Polar Surface Area	79 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	496
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

Catalog	Name
RM-G121901-01	Granisetron EP Impurity A
RM-G121908-01	Granisetron EP Impurity H
RM-G121902-01	Granisetron EP Impurity B
RM-G121905-01	Granisetron EP Impurity E
RM-G121904-01	Granisetron EP Impurity D
RM-G121903-01	Granisetron EP Impurity C
RM-G121907-01	Granisetron EP Impurity G
RM-G121906-01	Granisetron EP Impurity F
RM-T162009-01	Tryptophan EP Impurity I; N-Acetyltryptophan EP Impurity I
RM-V010309-01	Aciclovir EP Impurity A; Valaciclovir EP Impurity I

Catalog	Name
sc-218455	Exo-Granisetron (Granisetron Impurity F)
TRC-D292038-5MG	1-Desmethyl Granisetron (Granisetron Impurity B)
AR-G01610-01	Granisetron EP Impurity A
AR-G02754-01	Granisetron Impurity 3
AR-G02755-01	Granisetron Impurity 5
AR-G01609-01	Granisetron EP Impurity F (exo-Granisetron)
AR-G02759-01	Granisetron Impurity 1
AR-G02756-01	Granisetron Impurity 6
271661-01	9'-Desmethyl granisetron (granisetron impurity C)
AR-G02757-01	Granisetron Impurity 7