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Substance Name: 3'-Piperidinoadriamycin hydrochloride
RN: 70844-11-0
InChIKey: YWLKYNURZNKTLZ-NLKZARJJSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C32-H37-N-O11.Cl-H

Molecular Weight

  • 648.101
 
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Names and Synonyms

Results Name

  • 3'-Piperidinoadriamycin hydrochloride

Synonyms

  • 3'-Piperidinoadriamycin HCl
  • 3'-Piperidinoadriamycin hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70844-11-0

System Generated Number

  • 0070844110

Molecular Formulas

Molecular Formula

  • C32-H37-N-O11.Cl-H

Molecular Formula Fragments

  • C32-H37-N-O11
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C32H37NO11.ClH/c1-15-27(36)18(33-9-4-3-5-10-33)11-22(43-15)44-20-13-32(41,21(35)14-34)12-17-24(20)31(40)26-25(29(17)38)28(37)16-7-6-8-19(42-2)23(16)30(26)39;/h6-8,15,18,20,22,27,34,36,38,40-41H,3-5,9-14H2,1-2H3;1H/t15-,18-,20-,22-,27+,32-;/m0./s1

InChIKey

YWLKYNURZNKTLZ-NLKZARJJSA-N

Smiles

Cl.N1(CCCCC1)[C@@H]1[C@@H]([C@@H](O[C@H](C1)O[C@@H]1c2c(c3c(c(c2C[C@@](C1)(O)C(CO)=O)O)C(=O)c1cccc(c1C3=O)OC)O)C)O