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CAS 1379342-46-7 manufacturers and suppliers on PharmaCompass

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CAS 1379342-46-7
Also known as: Schembl13950719
Molecular Formula
C8H8N2O3
Molecular Weight
180.16  g/mol
InChI Key
YSNHRNLOZCAXBF-UHFFFAOYSA-N

1 2D Structure

CAS 1379342-46-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-carbamoylpyridine-4-carboxylate
2.1.2 InChI
InChI=1S/C8H8N2O3/c1-13-8(12)5-2-3-10-6(4-5)7(9)11/h2-4H,1H3,(H2,9,11)
2.1.3 InChI Key
YSNHRNLOZCAXBF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=CC(=NC=C1)C(=O)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl13950719

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 180.16 g/mol
Molecular Formula C8H8N2O3
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area82.3
Heavy Atom Count13
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
1379342-46-7
Topiroxostat
Established in May 2012, Shandong Loncom Pharmaceutical operates as a fully owned subsidiary of Shandong ...
Established in May 2012, Shandong Loncom Pharmaceutical operates as a fully owned subsidiary of Shandong Bestcomm Pharmaceutical Co., Ltd. Situated in the Qihe Economic Development Zone, Shandong Province, Shandong Loncom has operational API pilot tests and production bases adhering to international standards. With 13 production lines dedicated to oral solid preparations, oral liquid preparations and API, it is actively expanding its preparation workshops for small-volume injections, soft capsules, eye drops, topical medicines and innovative drug R&D centres.
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