Ramosetron Impurity 12 HCl

CAT: 1596-AR-R01160-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-R01160-01Size:10 Units

Selected

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

Quick Request Actions

CAS Number

132036-42-1

Synonyms

Pyrrolidin-1-yl (4,5,6,7-tetrahydro-1H-benzo[d]imidazol-6-yl) methanone hydrochloride

Molecular Formula

C12H17N3O. HCl

Molecular Weight

219.29 36.46

API Name

Ramosetron

Chemical Information

Pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-benzo[d]imidazol-5-yl)methanone hydrochloride

CAS Number	132036-42-1
PubChem CID	18985210
IUPAC Name	pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride
Molecular Formula	C12H18ClN3O
Molecular Weight	255.74
Topological Polar Surface Area	49
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	275

SMILES

C1CCN(C1)C(=O)C2CCC3=C(C2)NC=N3.Cl

InChI

InChI=1S/C12H17N3O.ClH/c16-12(15-5-1-2-6-15)9-3-4-10-11(7-9)14-8-13-10;/h8-9H,1-7H2,(H,13,14);1H

InChIKey

VIQQUDRWPRGFBZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132036-42-1

CID: 18985210

Formula: C12H18ClN3O

MW: 255.74

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.74
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	255.1138399
Monoisotopic Mass	255.1138399
Topological Polar Surface Area	49 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	275
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