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CAS 155405-80-4 manufacturers and suppliers on PharmaCompass

PharmaCompass
4CH-010665
Also known as:
Molecular Formula
C16H16N4O3
Molecular Weight
312.32  g/mol
InChI Key
GDEKSBCRJKAARB-UHFFFAOYSA-N

1 2D Structure

4CH-010665

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
2.1.2 InChI
InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(11)14(21)20-16(17)19-13/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)
2.1.3 InChI Key
GDEKSBCRJKAARB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)N=C(N3)N
2.1.5 Isomeric SMILES
COC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)N=C(N3)N
2.2 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 312.32 g/mol
Molecular Formula C16H16N4O3
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass312.12224039 g/mol
Monoisotopic Mass312.12224039 g/mol
Topological Polar Surface Area110 A^2
Heavy Atom Count23
Formal Charge0
Complexity500
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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Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is est...
Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is established in 2009 and has an integrated focus from various disciplines including R&D, Quality Control, Quality Assurance, Environment, Human Resource, DRA, and Manufacturing teams. Louis Pharma has ISO 9001:2015 certification, Maintaining cGMP standards and meeting the current US DMF requirements.
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Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is est...
Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is established in 2009 and has an integrated focus from various disciplines including R&D, Quality Control, Quality Assurance, Environment, Human Resource, DRA, and Manufacturing teams. Louis Pharma has ISO 9001:2015 certification, Maintaining cGMP standards and meeting the current US DMF requirements.
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Pemetrexed
Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is est...
Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is established in 2009 and has an integrated focus from various disciplines including R&D, Quality Control, Quality Assurance, Environment, Human Resource, DRA, and Manufacturing teams. Louis Pharma has ISO 9001:2015 certification, Maintaining cGMP standards and meeting the current US DMF requirements.
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