Granisetron EP Impurity D

CAT: 1596-AR-G01611-02Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G01611-02Size:100 Units

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CAS Number

50890-83-0

Synonyms

1-methyl-1H-indazole-3-carboxylicacid;1-Methyl-1H-indazole-3-carboxylic Acid; 3-Carboxy-1-methylindazole; Granisetron EP Impurity D

Molecular Formula

C9H8N2O2

Molecular Weight

176.18

API Name

Granisetron

Chemical Information

1H-Indazole-3-carboxylic acid, 1-methyl-

CAS Number	50890-83-0
PubChem CID	689105
IUPAC Name	1-methylindazole-3-carboxylic acid
Molecular Formula	C9H8N2O2
Molecular Weight	176.17
XLogP	1.4
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	220

SMILES

CN1C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H,1H3,(H,12,13)

InChIKey

OVVDFORZEGKEJM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50890-83-0

CID: 689105

Formula: C9H8N2O2

MW: 176.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.17
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	176.058577502
Monoisotopic Mass	176.058577502
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220
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
AR-G01610-01	Granisetron EP Impurity A
AR-G01609-01	Granisetron EP Impurity F (exo-Granisetron)
AR-G01605-01	Granisetron EP Impurity I
AR-G01608-01	Granisetron EP Impurity H
AR-G01607-01	Granisetron EP Impurity G
AR-G01603-01	Granisetron EP Impurity B
AR-G01606-01	Granisetron EP Impurity E
AR-G01604-01	Granisetron EP Impurity C HCl
AR-G02762-01	N-Nitroso Granisetron EP Impurity C
AR-T02873-01	Tretinoin EP Impurity D (Isotretinoin EP Impurity D)

Catalog	Name
sc-218455	Exo-Granisetron (Granisetron Impurity F)
TRC-D292038-5MG	1-Desmethyl Granisetron (Granisetron Impurity B)
RM-G121933-01	Granisetron Impurity 33
RM-G121916-01	Granisetron Impurity 16
RM-G121924-01	Granisetron Impurity 24
RM-G121943-01	Granisetron Impurity 43
RM-G121942-01	Granisetron Impurity 42
RM-G121911-01	Granisetron Impurity 11
RM-G121935-01	Granisetron Impurity 35
RM-G121927-01	Granisetron Impurity 27