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CAS 146464-93-9 manufacturers and suppliers on PharmaCompass

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CAS 146464-93-9
Also known as: 146464-93-9, 4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoic acid, Benzoic acid, 4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]-, 10-propargyl-4-deoxy-4-amino-10-deazapteroic acid, Schembl13529660, Dtxsid30451485
Molecular Formula
C18H16N6O2
Molecular Weight
348.4  g/mol
InChI Key
YDEZNQPWTMVPCH-UHFFFAOYSA-N

1 2D Structure

CAS 146464-93-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoic acid
2.1.2 InChI
InChI=1S/C18H16N6O2/c1-2-3-12(10-4-6-11(7-5-10)17(25)26)8-13-9-21-16-14(22-13)15(19)23-18(20)24-16/h1,4-7,9,12H,3,8H2,(H,25,26)(H4,19,20,21,23,24)
2.1.3 InChI Key
YDEZNQPWTMVPCH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 146464-93-9

2. 4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoic Acid

3. Benzoic Acid, 4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]-

4. 10-propargyl-4-deoxy-4-amino-10-deazapteroic Acid

5. Schembl13529660

6. Dtxsid30451485

7. Cs-m1919

8. Wfa46493

9. Mfcd09833979

10. Ac-28749

11. Cs-13791

12. 4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoicacid

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 348.4 g/mol
Molecular Formula C18H16N6O2
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass348.13347377 g/mol
Monoisotopic Mass348.13347377 g/mol
Topological Polar Surface Area141 Ų
Heavy Atom Count26
Formal Charge0
Complexity541
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Digital Content Digital Content
URL Supplier Web Content
146464-93-9
Pralatrexate
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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