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Substance Name: Hexaglutamate folate
RN: 35409-55-3
InChIKey: FWAQAOUHULVCBP-HCVVFSGQSA-N

Molecular Formula

  • C44-H54-N12-O21

Molecular Weight

  • 1086.97
 
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Names and Synonyms

Name of Substance

  • Hexaglutamate folate

Synonym

  • Pteglu6

Systematic Name

  • L-Glutamic acid, N-(N-(N-(N-(N-(N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-

Registry Numbers

CAS Registry Number

  • 35409-55-3

System Generated Number

  • 0035409553

Structure Descriptors

InChI

1S/C44H54N12O21/c45-21(36(66)67)5-10-26(57)43(15-30(61)62,27(58)11-6-22(46)37(68)69)44(28(59)12-7-23(47)38(70)71,41(76)77-31(63)14-9-25(49)40(74)75)56(29(60)13-8-24(48)39(72)73)35(65)18-1-3-19(4-2-18)51-16-20-17-52-33-32(53-20)34(64)55-42(50)54-33/h1-4,17,21-25,51H,5-16,45-49H2,(H,61,62)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H3,50,52,54,55,64)/t21-,22-,23-,24-,25-,44+/m0/s1

InChIKey

FWAQAOUHULVCBP-HCVVFSGQSA-N

Smiles

C([C@@](N(C(c1ccc(cc1)NCc1nc2c(nc([nH]c2nc1)N)=O)=O)C(CC[C@H](N)C(=O)O)=O)(C(CC(=O)O)(C(CC[C@H](N)C(=O)O)=O)C(CC[C@H](N)C(=O)O)=O)C(CC[C@H](N)C(=O)O)=O)(=O)OC(CC[C@H](N)C(=O)O)=O