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CAS 1307233-94-8 manufacturers and suppliers on PharmaCompass

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CAS 1307233-94-8
Also known as: 1307233-94-8, Ethyl 3-[[2-(chloromethyl)-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate, Ec 936-788-6, Schembl6848023, Dtxsid60680640, Mfcd23135630
Molecular Formula
C20H21ClN4O3
Molecular Weight
400.9  g/mol
InChI Key
ATDFBDBECQOWSX-UHFFFAOYSA-N

1 2D Structure

CAS 1307233-94-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 3-[[2-(chloromethyl)-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
2.1.2 InChI
InChI=1S/C20H21ClN4O3/c1-3-28-19(26)9-11-25(17-6-4-5-10-22-17)20(27)14-7-8-16-15(12-14)23-18(13-21)24(16)2/h4-8,10,12H,3,9,11,13H2,1-2H3
2.1.3 InChI Key
ATDFBDBECQOWSX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCl)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1307233-94-8

2. Ethyl 3-[[2-(chloromethyl)-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

3. Ec 936-788-6

4. Schembl6848023

5. Dtxsid60680640

6. Mfcd23135630

7. Zinc85224182

8. Akos016006788

9. Ethyl N-[2-(chloromethyl)-1-methyl-1h-benzimidazole-5-carbonyl]-n-pyridin-2-yl-beta-alaninate

10. 3-((2-chloromethyl-1-methyl-1h-benzimidazole-5-carbonyl)-pyridine-2-yl-amino)-propionic Acid Ethyl Ester

11. As-10349

12. Db-129858

13. Cs-0361472

14. Ft-0697536

15. A854921

16. Beta-alanine, N-[[2-(chloromethyl)-1-methyl-1h-benzimidazol-5-yl]carbonyl]-n-2-pyridinyl-, Ethyl Ester

2.3 Create Date
2011-06-13
3 Chemical and Physical Properties
Molecular Weight 400.9 g/mol
Molecular Formula C20H21ClN4O3
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area77.3
Heavy Atom Count28
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Chemeca Drugs Private Limited was erstwhile M/s. Vegesna Laboratories Pvt Limited. M/s. Vegesna Laborator...
Chemeca Drugs Private Limited was erstwhile M/s. Vegesna Laboratories Pvt Limited. M/s. Vegesna Laboratories Pvt Limited is a Private limited company having its Manufacturing Facility Unit at JN Pharmacity, Visakhapatnam established in the year 2008. Vegesna has become synonymous for its quality, deliveries, commitment & transparency making it a dependable & reliable partner to industry majors like DRL, Lupin, SUN PHARMA and Mylan by entering into long term strategic relationship for new products. We also provide contract manufacturing services for APIs and Intermediates.
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Chemeca Drugs Private Limited was erstwhile M/s. Vegesna Laboratories Pvt Limited. M/s. Vegesna Laborator...
Chemeca Drugs Private Limited was erstwhile M/s. Vegesna Laboratories Pvt Limited. M/s. Vegesna Laboratories Pvt Limited is a Private limited company having its Manufacturing Facility Unit at JN Pharmacity, Visakhapatnam established in the year 2008. Vegesna has become synonymous for its quality, deliveries, commitment & transparency making it a dependable & reliable partner to industry majors like DRL, Lupin, SUN PHARMA and Mylan by entering into long term strategic relationship for new products. We also provide contract manufacturing services for APIs and Intermediates.
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