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Ramosetron hydrochloride

CAT: 0926-FR27680-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FR27680-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132907-72-3
Synonyms
(1-Methyl-1H-indol-3-yl) [ (6R) -4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]methanone hydrochloride
MDL Number
MFCD19441800
Smiles
CN1C=C (C2=CC=CC=C21) C (=O) [C@@H]3CCC4=C (C3) NC=N4.Cl
Molecular Formula
C17H17N3O•HCl
Molecular Weight
315.8 g/mol
Controlled
Yes

Chemical Information

Ramosetron Hydrochloride

Ramosetron hydrochloride is a member of indoles.

CAS Number132907-72-3
PubChem CID107999
IUPAC Name(1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone;hydrochloride
Molecular FormulaC17H18ClN3O
Molecular Weight315.8
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity413
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)[C@@H]3CCC4=C(C3)NC=N4.Cl
InChI
InChI=1S/C17H17N3O.ClH/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14;/h2-5,9-11H,6-8H2,1H3,(H,18,19);1H/t11-;/m1./s1
InChIKey
XIXYTCLDXQRHJO-RFVHGSKJSA-N
Chemical Structure
2D Structure
2D structure of Ramosetron Hydrochloride
CAS: 132907-72-3
CID: 107999
Formula: C17H18ClN3O
MW: 315.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass315.1138399
Monoisotopic Mass315.1138399
Topological Polar Surface Area50.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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