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Cambendazole
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Name

Cambendazole

 EINECS 247-459-5
CAS No. 26097-80-3 Density 1.4 g/cm3
PSA 108.14000 LogP 3.71630
Solubility N/A Melting Point 212-214℃ (ethyl acetate hexane )
Formula C14H14N4O2S Boiling Point N/A
Molecular Weight 302.357 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 63
Molecular Structure Molecular Structure of 26097-80-3 (CAMBENDAZOL) Hazard Symbols Xn
Synonyms

5-Benzimidazolecarbamicacid, 2-(4-thiazolyl)-, isopropyl ester (8CI);Carbamic acid,[2-(4-thiazolyl)-1H-benzimidazol-5-yl]-, 1-methylethyl ester (9CI);2-(4-Thiazolyl)-5-isopropoxycarbonylaminobenzimidazole;Isopropyl 2-(4-thiazolyl)-5-benzimidazolecarbamate;NSC377071;Novazole;MK 905;Noviben;Bonlam;

Article Data 5

Cambendazole Synthetic route

3364-80-5

1,3-thiazole-4-carbaldehyde

35198-67-5

3,4-diaminophenylcarbamic acid isopropyl ester

26097-80-3

cambendazol

Conditions
ConditionsYield
With sulfur In xylene for 8h; Heating;1.1 g
5307-14-2

2-nitro-1,4-phenylenediamine

26097-80-3

cambendazol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 12 g / dimethylaniline / acetonitrile / 3 h / Ambient temperature
2: 6.5 g / H2, HCl / 10percent Pd-C / methanol; propan-2-ol / 760 Torr / Ambient temperature
3: 1.1 g / sulphur / xylene / 8 h / Heating
View Scheme
30713-39-4

4-isopropoxycarbonylamino-2-nitroaniline

26097-80-3

cambendazol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 6.5 g / H2, HCl / 10percent Pd-C / methanol; propan-2-ol / 760 Torr / Ambient temperature
2: 1.1 g / sulphur / xylene / 8 h / Heating
View Scheme
25893-06-5

5-aminothiabendazole

108-23-6

isopropyl chloroformate

26097-80-3

cambendazol

Conditions
ConditionsYield
In pyridine; methanol; benzene

Cambendazole Specification

The Cambendazole with CAS registry number of 26097-80-3 is also known as Carbamic acid,N-[2-(4-thiazolyl)-1H-benzimidazol-6-yl]-, 1-methylethyl ester. The IUPAC name is Propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate. It belongs to classification codes of Anthelmintic; Anthelmintics; Anti-Infective Agents; Antinematodal agents; Antiparasitic Agents; Mutation Data. Its EINECS registry number is 247-459-5. In addition, the formula is C14H14N4O2S and the molecular weight is 302.35.

Physical properties about Cambendazole are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 92.31; (6)ACD/BCF (pH 7.4): 94.01; (7)ACD/KOC (pH 5.5): 883.15; (8)ACD/KOC (pH 7.4): 899.41; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.694; (13)Molar Refractivity: 82.92 cm3; (14)Molar Volume: 215.9 cm3; (15)Surface Tension: 66.1 dyne/cm; (16)Density: 1.4 g/cm3.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OC(C)C)Nc3cc2c(nc(c1ncsc1)n2)cc3
2. InChI: InChI=1/C14H14N4O2S/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12/h3-8H,1-2H3,(H,16,19)(H,17,18)
3. InChIKey: QZWHWHNCPFEXLL-UHFFFAOYAY
4. Std. InChI: InChI=1S/C14H14N4O2S/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12/h3-8H,1-2H3,(H,16,19)(H,17,18)
5. Std. InChIKey: QZWHWHNCPFEXLL-UHFFFAOYSA-N

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