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Substance Name: CB 30900
RN: 145788-82-5
InChIKey: PIGKKMGHDBPLME-RPWUZVMVSA-N

Note

  • A nonpolyglutamated quinazoline antifolate.

Molecular Formula

  • C31-H32-F-N5-O9

Molecular Weight

  • 637.618
 
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Names and Synonyms

Name of Substance

  • CB 30900

Synonyms

  • CB-30900
  • N-(N-(4-(N-((3,4-Dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-N-prop-2-ynylamino)-2-fluorobenzoyl)-L-gamma-glutamyl)-D-glutamic acid

Systematic Name

  • D-Glutamic acid, N-(N-(4-(((1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-fluorobenzoyl)-L-gamma-glutamyl)-

Registry Numbers

CAS Registry Number

  • 145788-82-5

System Generated Number

  • 0145788825

Structure Descriptors

InChI

1S/C31H32FN5O9/c1-4-11-37(15-18-13-21-25(12-16(18)2)33-17(3)34-29(21)42)19-5-6-20(22(32)14-19)28(41)36-24(31(45)46)7-9-26(38)35-23(30(43)44)8-10-27(39)40/h1,5-6,12-14,23-24H,7-11,15H2,2-3H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+/m1/s1

InChIKey

PIGKKMGHDBPLME-RPWUZVMVSA-N

Smiles

C([C@H](NC(CC[C@H](NC(c1c(cc(cc1)N(CC#C)Cc1cc2c(nc([nH]c2cc1C)C)=O)F)=O)C(=O)O)=O)CCC(=O)O)(=O)O