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Mozavaptan

CAT: 1596-AR-M02372-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02372-06Size:250 Units
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CAS Number
137975-06-5
Synonyms
N-[4-[[5- (Dimethylamino) -2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl]phenyl]-2-methylbenzamide; OPC 31260; Mozavaptan
Molecular Formula
C27H29N3O2
Molecular Weight
427.55
API Name
Mozavaptan

Chemical Information

Mozavaptan

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

CAS Number137975-06-5
PubChem CID119369
IUPAC NameN-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
Molecular FormulaC27H29N3O2
Molecular Weight427.5
XLogP4.5
Topological Polar Surface Area52.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity643
SMILES
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)N(C)C
InChI
InChI=1S/C27H29N3O2/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)
InChIKey
WRNXUQJJCIZICJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mozavaptan
CAS: 137975-06-5
CID: 119369
Formula: C27H29N3O2
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass427.22597718
Monoisotopic Mass427.22597718
Topological Polar Surface Area52.7 Ų
Heavy Atom Count32
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 Count1
Compound Is CanonicalizedYes

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FD71413-01Mozavaptan
NFA47070-01Mozavaptan HCl
HY-18346S-01Mozavaptan-d6
sc-358376Mozavaptan Hydrochloride
E4957-01Mozavaptan (hydrochloride)
A16622-100Mozavaptan 100mg

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