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Substance Name: 7-O-(2,6-Dideoxy-2-fluoro-alpha-talopyranosyl)adriamycinone- 14-beta-alaniate hydrochloride
RN: 140637-82-7
UNII: C7EKF2I37Q
InChIKey: PISPJMVXLMWWNB-ZZBYHBTRSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C30-H32-F-N-O13.Cl-H

Molecular Weight

  • 670.036
 
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Names and Synonyms

Name of Substance

  • 7-O-(2,6-Dideoxy-2-fluoro-alpha-talopyranosyl)adriamycinone- 14-beta-alaniate hydrochloride

Synonyms

  • 7-O-(2,6-Dideoxy-2-fluoro-alpha-talopyranosyl)adriamycinone-14-beta-alaniate hydrochloride
  • DA 125
  • UNII-C7EKF2I37Q

Systematic Names

  • beta-Alanine, 2-((2S,4S)-4-((2,6-dideoxy-2-fluoro-alpha-L-talopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, hydrochloride
  • beta-Alanine, 2-(4-((2,6-dideoxy-2-fluoro-alpha-L-talopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, hydrochloride, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 140637-82-7

FDA UNII

  • C7EKF2I37Q

System Generated Number

  • 0140637827

Molecular Formulas

Molecular Formula

  • C30-H32-F-N-O13.Cl-H

Molecular Formula Fragments

  • C30-H32-F-N-O13
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H32FNO13.ClH/c1-11-23(35)28(40)22(31)29(44-11)45-15-9-30(41,16(33)10-43-17(34)6-7-32)8-13-19(15)27(39)21-20(25(13)37)24(36)12-4-3-5-14(42-2)18(12)26(21)38;/h3-5,11,15,22-23,28-29,35,37,39-41H,6-10,32H2,1-2H3;1H/t11-,15-,22+,23+,28-,29-,30-;/m0./s1

InChIKey

PISPJMVXLMWWNB-ZZBYHBTRSA-N

Smiles

C1[C@@](Cc2c([C@H]1O[C@@H]1O[C@H]([C@H]([C@H]([C@H]1F)O)O)C)c(O)c1C(c3c(C(=O)c1c2O)cccc3OC)=O)(C(COC(CCN)=O)=O)O.Cl