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5-Dehydro Tolvaptan-d7

CAT: 0572-TRC-D230352-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D230352-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1296212-29-7
Synonyms
N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide-d7; 1H-1-Benzazepine, Benzamide Deriv.-d7; 7-Chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-5-Oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-d7
Hazard Statement
No Data Available
Smiles
[2H]c1c([2H])c([2H])c(c(C(=O)Nc2ccc(C(=O)N3CCCC(=O)c4cc(Cl)ccc34)c(C)c2)c1[2H])C([2H])([2H])[2H]
Molecular Formula
C26H16D7ClN2O3
Molecular Weight
453.97
Shipping Conditions
Room Temperature

Chemical Information

5-Dehydro Tolvaptan-d7
CAS Number1296212-29-7
PubChem CID88876159
IUPAC NameN-[4-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-3-methylphenyl]-2,3,4,5-tetradeuterio-6-(trideuteriomethyl)benzamide
Molecular FormulaC26H23ClN2O3
Molecular Weight454.0
XLogP5
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity713
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(=O)C4=C3C=CC(=C4)Cl)C)C([2H])([2H])[2H])[2H])[2H]
InChI
InChI=1S/C26H23ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,28,31)/i1D3,3D,4D,6D,7D
InChIKey
VENGMROMZOKURN-FFQSSJIFSA-N
Chemical Structure
2D Structure
2D structure of 5-Dehydro Tolvaptan-d7
CAS: 1296212-29-7
CID: 88876159
Formula: C26H23ClN2O3
MW: 454.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.0
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass453.1836575
Monoisotopic Mass453.1836575
Topological Polar Surface Area66.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity713
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-D229457-0.5MG(3Beta)-7-Dehydro Cholesterol-d7
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TRC-D229472-10MG20-Dehydro Cholesterol-d7 3-Acetate

Alternative Products

CatalogName
HY-131679S-015-Dehydro Tolvaptan-d7
1618835-Dehydro Tolvaptan
436318-015-Dehydro Tolvaptan Acetate
431094-014-Bromo-5-dehydro Tolvaptan
436319-015-Dehydro Tolvaptan Methyl Enol Ether
sc-499656Dehydro Nisoldipine-d7
445987-01Dehydro Carisoprodol-d7
sc-499678Dehydro Nimodipine-d7
CS-O-65074(E) -Dehydro Cilnidipine-d7
MBS6100792-01(3beta)-7-Dehydro Cholesterol-d7

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