Ramosetron Impurity 11 HCl

CAT: 1596-AR-R01161-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R01161-01Size:10 Units

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

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CAS Number

131020-57-0

Synonyms

4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylic acid hydrochloride

Molecular Formula

C8H10N2O2. HCl

Molecular Weight

166.18 36.46

API Name

Ramosetron

Chemical Information

4,5,6,7-Tetrahydro-1H-benzo(d)imidazole-5-carboxylic acid hydrochloride

CAS Number	131020-57-0
PubChem CID	53231038
IUPAC Name	4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid;hydrochloride
Molecular Formula	C8H11ClN2O2
Molecular Weight	202.64
Topological Polar Surface Area	66
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	195

SMILES

C1CC2=C(CC1C(=O)O)NC=N2.Cl

InChI

InChI=1S/C8H10N2O2.ClH/c11-8(12)5-1-2-6-7(3-5)10-4-9-6;/h4-5H,1-3H2,(H,9,10)(H,11,12);1H

InChIKey

HCLOFQMHYZETCL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 131020-57-0

CID: 53231038

Formula: C8H11ClN2O2

MW: 202.64

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	202.64
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	202.0509053
Monoisotopic Mass	202.0509053
Topological Polar Surface Area	66 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	195
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes