Conivaptan-d4

CAT: 1596-AR-C03482-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C03482-01Size:10 Units

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CAS Number

1129433-63-1

Synonyms

N- (4- (2-methyl-1,4,5,6-tetrahydrobenzo[b]imidazo[4,5-d]azepine-6-carbonyl) phenyl) -[1,1'-biphenyl]-2-carboxamide-D4

Molecular Formula

C32H22N4O2D4

Molecular Weight

502.61

API Name

Conivaptan

Chemical Information

Conivaptan-d4

CAS Number	1129433-63-1
PubChem CID	25217280
IUPAC Name	2-phenyl-N-[2,3,5,6-tetradeuterio-4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]benzamide
Molecular Formula	C32H26N4O2
Molecular Weight	502.6
XLogP	5.7
Topological Polar Surface Area	78.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	38
Formal Charge	0
Complexity	820

SMILES

[2H]C1=C(C(=C(C(=C1C(=O)N2CCC3=C(C4=CC=CC=C42)N=C(N3)C)[2H])[2H])NC(=O)C5=CC=CC=C5C6=CC=CC=C6)[2H]

InChI

InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)/i15D,16D,17D,18D

InChIKey

IKENVDNFQMCRTR-OCOLLXALSA-N

Chemical Structure

2D Structure

CAS: 1129433-63-1

CID: 25217280

Formula: C32H26N4O2

MW: 502.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	502.6
XLogP3	5.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	502.23068307
Monoisotopic Mass	502.23068307
Topological Polar Surface Area	78.1 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	820
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-C03481-01	Conivaptan HCl
AR-C03504-01	Conivaptan Impurity 22
AR-C03498-01	Conivaptan Impurity 16
AR-C03496-01	Conivaptan Impurity 14
AR-C03492-01	Conivaptan Impurity 10
AR-C03490-01	Conivaptan Impurity 8
AR-C03487-01	Conivaptan Impurity 5
AR-C03483-01	Conivaptan Impurity 1
AR-C03501-01	Conivaptan Impurity 19
AR-C03500-01	Conivaptan Impurity 18

Alternative Products

Catalog	Name
HY-129511	Conivaptan-d4
T21378-01	Conivaptan
MBS3602574-01	Conivaptan hydrochloride
OR1023871	Conivaptan HCl

Conivaptan-d4

Chemical Information

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