CAS 804563-04-0 manufacturers and suppliers on PharmaCompass

9,10-Dehydro Folitixorin Chloride

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

Contact Supplier

xyz-pharma-m-2024-10-07

Contact Supplier

Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

Contact Supplier

Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

Contact Supplier

xyz-pharma-m-2024-10-07

Contact Supplier

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

2 Suppliers, 2 End Use APIs

2 Suppliers
2 End Use APIs

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Click the button for full data set

Also known as: 804563-04-0, (2s)-2-[[4-(3-amino-1-oxo-5,6,6a,7-tetrahydro-2h-imidazo[1,5-f]pteridin-10-ium-8-yl)benzoyl]amino]pentanedioic acid;chloride, 5,10-methenyltetrahydrofolate chloride

Molecular Formula

C₂₀H₂₂ClN₇O₆

Molecular Weight

491.9 g/mol

InChI Key

NDMWNIVQVBEIJX-ZEDZUCNESA-N

CAS 804563-04-0

1 2D Structure

CAS 804563-04-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-[[4-(3-amino-1-oxo-5,6,6a,7-tetrahydro-2H-imidazo[1,5-f]pteridin-10-ium-8-yl)benzoyl]amino]pentanedioic acid;chloride

2.1.2 InChI

InChI=1S/C20H21N7O6.ClH/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29;/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33);1H/t12?,13-;/m0./s1

2.1.3 InChI Key

NDMWNIVQVBEIJX-ZEDZUCNESA-N

2.1.4 Canonical SMILES

C1C2CN(C=[N+]2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O.[Cl-]

2.1.5 Isomeric SMILES

C1C2CN(C=[N+]2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O.[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 804563-04-0

2. (2s)-2-[[4-(3-amino-1-oxo-5,6,6a,7-tetrahydro-2h-imidazo[1,5-f]pteridin-10-ium-8-yl)benzoyl]amino]pentanedioic Acid;chloride

3. 5,10-methenyltetrahydrofolate Chloride

2.3 Create Date

2019-01-25

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₂ClN₇O₆
Molecular Weight	491.9 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	491.1320091 g/mol
Monoisotopic Mass	491.1320091 g/mol
Topological Polar Surface Area	190 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	966
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

BUILDING BLOCK

Upload your portfolio for free, ask us

SUPPLIERS

Only 10 entries up to this point, click to access all

END USE APIs

Market Place

Home

Menu

Post Enquiry

Market Place

Search