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Mozavaptan Hydrochloride

CAT: 0024-sc-358376ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-358376ASize:100 mg
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CAS Number
138470-70-9

Chemical Information

Mozavaptan Hydrochloride

Mozavaptane hydrochloride is a member of benzamides. It has a role as an aquaretic.

CAS Number138470-70-9
PubChem CID636389
IUPAC NameN-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide;hydrochloride
Molecular FormulaC27H30ClN3O2
Molecular Weight464.0
Topological Polar Surface Area52.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity643
SMILES
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)N(C)C.Cl
InChI
InChI=1S/C27H29N3O2.ClH/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30;/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31);1H
InChIKey
MOROBKPIULFQDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mozavaptan Hydrochloride
CAS: 138470-70-9
CID: 636389
Formula: C27H30ClN3O2
MW: 464.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass463.2026549
Monoisotopic Mass463.2026549
Topological Polar Surface Area52.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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