Dihydrate

CAS Number: 61438-64-0

Molecular Formula: C22H13Cl2I2N2NaO2

About Dihydrate

Closantel Sodium Dihydrate (CAS 61438-64-0) is a potent veterinary API utilized in targeted antiparasitic formulations to safeguard livestock health against devastating fluke and roundworm burdens. Formulated to meet rigorous quality standards, this compound supports US veterinary pharmaceutical innovators and agricult...

Variants

CLOSANTEL SODIUM

CAS: 61438-64-0

Synonyms

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

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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%)