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Substance Name: 2-Pyrrolinodoxorubicin
RN: 175795-76-3
InChIKey: NOPNWHSMQOXAEI-PUCKCBAPSA-N

Molecular Formula

  • C31-H33-N-O11

Molecular Weight

  • 595.5977
 
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Names and Synonyms

Results Name

  • 2-Pyrrolinodoxorubicin

Name of Substance

  • AN 204

Synonyms

  • 2-Pyrrolino-dox
  • 2-Pyrrolinodoxorubicin
  • 3'-Deamino-3'-(2''-pyrroline-1''-yl)doxorubicin trifluoroacetate
  • AN 201
  • AN-201
  • AN-204

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(2,3-dihydro-1H-pyrrol-1-yl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 175795-76-3

System Generated Number

  • 0175795763

Structure Descriptors

InChI

1S/C31H33NO11/c1-14-26(35)17(32-8-3-4-9-32)10-21(42-14)43-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-6-5-7-18(41-2)22(15)29(25)38/h3,5-8,14,17,19,21,26,33,35,37,39-40H,4,9-13H2,1-2H3/t14-,17-,19-,21-,26+,31-/m0/s1

InChIKey

NOPNWHSMQOXAEI-PUCKCBAPSA-N

Smiles

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N6CCC=C6)O