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Screening compounds

Samsca

Also known as (R)-(+)-Tolvaptan, (+)-Tolvaptan, Tolvaptan, (R)-

CAS 331947-66-1Formula C26H25ClN2O3Molar mass 448.95 g/mol
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Samsca chemical structure, C26H25ClN2O3, CAS 331947-66-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
331947-66-1
Formula
C26H25ClN2O3
Molar mass
448.95 g/mol
HS code
293399
Category
Screening compounds

What is Samsca?

Plain description, key identifiers and synonyms

(R)-tolvaptan is the (R)-enantiomer of tolvaptan. It is an enantiomer of a (S)-tolvaptan.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[4-[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
CAS number
331947-66-1 CAS number cross-checkedOther or deprecated CAS: 150683-30-0
Molecular formula
C26H25ClN2O3
UNII
1E2497LPNY
InChIKey
GYHCTFXIZSNGJT-XMMPIXPASA-N
InChI
InChI=1S/C26H25ClN2O3/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/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)/t24-/m1/s1
Canonical SMILES
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1
Isomeric SMILES
CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCC[C@H](C4=C3C=CC(=C4)Cl)O)C

Synonyms

  • (R)-(+)-Tolvaptan
  • (+)-Tolvaptan
  • Tolvaptan, (R)-
  • (R)-tolvaptan
  • (R)-(+)-OPC-41061
  • N-{4-[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl]-3-methylphenyl}-2-methylbenzamide
  • (R)-N-(4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide
  • N-[4-[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
  • (S)-(-)-Tolvaptan
  • Benzamide, N-(4-(((5R)-7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl)-3-methylphenyl)-2-methyl-
  • Samsca,
  • (5R)-tolvaptan
  • Benzamide, N-[4-[[(5R)-7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl]carbonyl]-3-methylphenyl]-2-methyl-
  • Samsca (TN)
  • (R)-(+)-OPC 41061
  • N-[4-[[(5R)-7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl]carbonyl]-3-methylphenyl]-2-methylbenzamide
  • Tolvaptan (JP18/USAN/INN)
  • (R)-OPC 41061
  • N-(4-{[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-methylbenzamide
  • N-[4-[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide
  • N-[4-[(5R)-7-chloro-5-hydroxy2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
  • N-[4-[[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-3-methylphenyl]-2-methylbenzamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
448.95 g/molcalc.
Exact mass
448.1554 Dacalc.
LogP (octanol/water)
5.68calc.
Topological polar surface area
69.64 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.23calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1

O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1

4 rings, 28 atoms.

30 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Samsca suppliers

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All 5 suppliers
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Where suppliers are based

5 suppliers in 2 countries

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Samsca price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Samsca is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Samsca is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Samsca, based on the data on this page

What is Samsca?

(R)-tolvaptan is the (R)-enantiomer of tolvaptan. It is an enantiomer of a (S)-tolvaptan.

What is the CAS number of Samsca?

The CAS registry number of Samsca is 331947-66-1. Other or deprecated CAS numbers: 150683-30-0.

What is the molecular formula and weight of Samsca?

The molecular formula of Samsca is C26H25ClN2O3 and its molar mass is 448.95 g/mol.

What is Samsca used for?

Known uses and roles of Samsca include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Samsca hazardous?

No GHS hazard classification for Samsca is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Samsca?

Samsca is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Samsca?

CompoundList lists 5 suppliers of Samsca in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Samsca?

Suppliers quote Samsca on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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