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Substance Name: Pirlimycin adenylate
RN: 85643-04-5
InChIKey: MEWDZVCNNBUSDP-QSSAZXSKSA-N

Note

  • Adenylate prodrug of pirlimycin.

Molecular Formula

  • C27-H43-Cl-N7-O11-P-S

Molecular Weight

  • 740.168
 
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Names and Synonyms

Name of Substance

  • Pirlimycin adenylate

Synonyms

  • U 63440
  • U-63,440

Systematic Name

  • 5'-Adenylic acid, 3-ester with (2S-trans)-methyl 7-chloro-6,7,8-trideoxy-6-(((4-ethyl-2-piperidinyl)carbonyl)amino)-1-thio-L-threo-alpha-D-galacto-octapyranoside

Registry Numbers

CAS Registry Number

  • 85643-04-5

System Generated Number

  • 0085643045

Structure Descriptors

InChI

1S/C27H43ClN7O11PS/c1-4-12-5-6-30-13(7-12)25(40)34-15(11(2)28)21-19(38)22(20(39)27(45-21)48-3)46-47(41,42)43-8-14-17(36)18(37)26(44-14)35-10-33-16-23(29)31-9-32-24(16)35/h9-15,17-22,26-27,30,36-39H,4-8H2,1-3H3,(H,34,40)(H,41,42)(H2,29,31,32)/t11-,12-,13-,14+,15+,17+,18+,19-,20+,21+,22-,26+,27+/m0/s1

InChIKey

MEWDZVCNNBUSDP-QSSAZXSKSA-N

Smiles

O[C@@H]1[C@@H]([C@@H](CO[P@@](O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)[C@@H]([C@H](C)Cl)NC(=O)[C@@H]2C[C@H](CCN2)CC)SC)O)(=O)O)O[C@H]1n1cnc2c1ncnc2N)O