Calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate | CAS No. 80433-71-2

Calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate

Basic Information

CAS Number

80433-71-2

Molecular Formula

C20H21CaN7O7

Molecular Weight

511.51 g/mol

AD

Basic Physical Properties

Melting Point

240-2500C (dec)

Specific Rotation

D20 -15.1° (c = 1.82)

C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]

InChI

InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12-,13-;/m0./s1

InChIKey

KVUAALJSMIVURS-QNTKWALQSA-L

LogP

-3.781299999999997

Topological Polar Surface Area

225.49999999999997 Ų

Hydrogen Bond Donor/Acceptor

6 / 14

Complexity

900

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • CHEMBL1908361
  • Levofolinate calcium
  • Calcium levofolinate
  • Calcium levofolinate (6s,l)
  • HY-13667
  • 778XL6VBS8
  • CL 307,782
  • CALCIUM LEVOFOLINATE [WHO-DD]
  • calcium (6s)-folinate
  • Isovorin
  • UNII-778XL6VBS8
  • AC-24017
  • LEVOLEUCOVORIN CALCIUM [VANDF]
  • Calcium levofolinate (INN)
  • Elvorine
  • Isovorin (TN)
  • calcium;(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
  • MFCD08704249
  • Fusilev (TN)
  • Levoleucovorin (Calcium)
  • D04715
  • LEVOLEUCOVORIN CALCIUM
  • CALCIUM LEVOFOLINATE [MART.]
  • L-Leucovorin calcium
  • calcium levofolinate hydrate
  • calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioate
  • LEVOFOLINATE CALCIUM [JAN]
  • Calcium levofolinate (Calcium Folinate)
  • FOLINIC ACID L-FORM CALCIUM SALT [MI]
  • calcium levoleucovorin
  • W-60274

MDL Number

MFCD08704249

FAQ

What is Calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate (CAS: 80433-71-2)?

Calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate (CAS: 80433-71-2) is a complex calcium salt with a dicarboxylic acid backbone and a pteridinyl ring. It exhibits high molecular weight and is characterized by its stereochemistry (2S and 6S configurations), making it a specialized compound used in pharmaceutical and research contexts. The molecule contains amino, formyl, and oxo groups, contributing to its reactivity and functional versatility.

What are the main uses of Calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate (CAS: 80433-71-2)?

Calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate (CAS: 80433-71-2) is primarily used in pharmaceutical research as a potential therapeutic agent, particularly in drug development targeting metabolic or neurological disorders. It may also serve as a chemical intermediate in synthetic processes and is utilized in biochemical studies due to its unique structure and functional groups.

Is Calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate (CAS: 80433-71-2) safe?

Calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate (CAS: 80433-71-2) is generally considered safe when handled according to standard chemical safety protocols. It requires protective measures such as gloves, goggles, and proper ventilation to minimize exposure. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines, as its reactivity and complex structure may necessitate caution in industrial or laboratory settings.

How should Calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate (CAS: 80433-71-2) be stored?

Calcium (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate (CAS: 80433-71-2) should be stored in a cool, dry, and dark place, preferably at 2-8°C, to maintain stability. It should be kept in airtight containers to prevent moisture absorption and contamination. Avoid exposure to heat, light, and incompatible substances to ensure long-term preservation and safety.

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