Dihydrate

CAS Number: 61438-64-0

Molecular Formula: C22H13Cl2I2N2NaO2

About Dihydrate

Closantel Sodium Dihydrate (CAS 61438-64-0) is a highly effective, broad-spectrum veterinary antiparasitic agent used worldwide to control liver flukes, nematodes, and arthropod infestations in livestock. As a premium salicylanilide derivative, this compound complies with international regulatory benchmarks, offering g...

Variants

CLOSANTEL SODIUM

CAS: 61438-64-0

Synonyms

losantel sodium
3-Isopropyl-isocumarin
Closantel as sodium salt
Closantel sodium dihydrate
Closantel for system suitability

View all

Dihydrate Specifications

CAS Number

61438-64-0

Molecular Formula

C22H13Cl2I2N2NaO2

Molecular Weight

685.1 g/mol

IUPAC Name

sodium 2-[[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]carbamoyl]-4,6-diiodophenolate

Canonical SMILES

CC=N[C@@H]([C@@H](C)O)C(=O)[O-].CC=N[C@@H]([C@@H](C)O)C(=O)[O-].O.O.[Fe+2]

InChI Key

LREGMDNUOGTSIK-UHFFFAOYSA-M

InChI

InChI=1S/C22H14Cl2I2N2O2.Na/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29;/h2-9,17,29H,1H3,(H,28,30);/q;+1/p-1

PubChem CID

23683671

UNII Code

0ZBS9YC04P

EINECS Number

262-794-7

MDL Number

MFCD03427328

CAS Number

61438-64-0

Molecular Formula

C22H13Cl2I2N2NaO2

Molecular Weight

685.1 g/mol

IUPAC Name

sodium 2-[[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]carbamoyl]-4,6-diiodophenolate

Canonical SMILES

CC=N[C@@H]([C@@H](C)O)C(=O)[O-].CC=N[C@@H]([C@@H](C)O)C(=O)[O-].O.O.[Fe+2]

InChI Key

LREGMDNUOGTSIK-UHFFFAOYSA-M

InChI

InChI=1S/C22H14Cl2I2N2O2.Na/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29;/h2-9,17,29H,1H3,(H,28,30);/q;+1/p-1

PubChem CID

23683671

UNII Code

0ZBS9YC04P

EINECS Number

262-794-7

MDL Number

MFCD03427328

Molecular Weight

685.1 g/mol

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

683.83412 Da

Monoisotopic Mass

683.83412 Da

Topological Polar Surface Area

76 Å²

GHS Hazard Statements

H301 (77.5%): Toxic if swallowed H302 (22.5%): Harmful if swallowed H400 (70%): Very toxic to aquatic life H410 (70%): Very toxic to aquatic life with long lasting effects

Hazard Classes and Categories

Acute Tox. 3 (77.5%) Acute Tox. 4 (22.5%) Aquatic Acute 1 (70%) Aquatic Chronic 1 (70%)