Rac-trans-4-Hydroxy Tolvaptan

CAT: 1596-AR-T02610-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T02610-01Size:10 Units

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CAS Number

926035-34-9

Synonyms

Rac-trans-N- (4- (7-chloro-4,5-dihydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl) -3-methylphenyl) -2-methylbenzamide

Molecular Formula

C26H25ClN2O4

Molecular Weight

464.95

API Name

Tolvaptan

Chemical Information

T0OH2NO4KZ

CAS Number	926035-34-9
PubChem CID	101425537
IUPAC Name	N-[4-[(4R,5R)-7-chloro-4,5-dihydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
Molecular Formula	C26H25ClN2O4
Molecular Weight	464.9
XLogP	3.8
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	33
Formal Charge	0
Complexity	706

SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CC[C@H]([C@@H](C4=C3C=CC(=C4)Cl)O)O)C

InChI

InChI=1S/C26H25ClN2O4/c1-15-5-3-4-6-19(15)25(32)28-18-8-9-20(16(2)13-18)26(33)29-12-11-23(30)24(31)21-14-17(27)7-10-22(21)29/h3-10,13-14,23-24,30-31H,11-12H2,1-2H3,(H,28,32)/t23-,24-/m1/s1

InChIKey

VAVCSBDSVJMVNG-DNQXCXABSA-N

Chemical Structure

2D Structure

CAS: 926035-34-9

CID: 101425537

Formula: C26H25ClN2O4

MW: 464.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	464.9
XLogP3	3.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	464.1502850
Monoisotopic Mass	464.1502850
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	706
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
RM-T151224-01	Rac-Trans-4-Hydroxy Tolvaptan
sc-488834	4-Hydroxy tolvaptan
TRC-H969890-25MG	4-Hydroxy Tolvaptan (Mixture of Diastereomers)
RM-T151204-01	Tolvaptan Impurity 4
CS-O-56535	Tolvaptan Impurity 4 (DM-4105)
CS-T-88277	2-Desmethyl-4-methyl Tolvaptan
431094-01	4-Bromo-5-dehydro Tolvaptan
446039-01	Dehydroxy- (2-methyl-4- (2-methylbenzamido) benzoate) Tolvaptan
TRC-D230653-25MG	Dehydroxy-(2-methyl-4-(2-methylbenzamido)benzoate) Tolvaptan
TRC-H942625-25MG	rac trans-4-Hydroxy Glyburide

Rac-trans-4-Hydroxy Tolvaptan

Chemical Information

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