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Ramosetron Hydrochloride

CAT: 0572-TRC-R113050-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R113050-50MGSize:50 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
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c4ccccc14
Molecular Formula
C17 H17 N3 O . Cl H
Molecular Weight
315.8
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
Additionnal Information
IUPAC name: (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methanone;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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
Loading 3D structure...
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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