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Substance Name: BMY 28946
RN: 131426-62-5
InChIKey: ZAQHGXRGCJLEPS-PJKLZITJSA-N

Molecular Formula

  • C36-H38-N2-O15

Molecular Weight

  • 738.6952
 
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Names and Synonyms

Results Name

  • BMY 28946

Synonym

  • BMY-28946

Systematic Name

  • D-Serine, N-((5-((4,6-dideoxy-4-(dimethylamino)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 131426-62-5

System Generated Number

  • 0131426625

Structure Descriptors

InChI

1S/C36H38N2O15/c1-11-6-17-23(29(44)20(11)34(48)37-18(10-39)35(49)50)22-15(28(43)33(17)53-36-32(47)31(46)25(38(3)4)12(2)52-36)9-16-24(30(22)45)27(42)14-7-13(51-5)8-19(40)21(14)26(16)41/h6-9,12,18,25,28,31-33,36,39-40,43-47H,10H2,1-5H3,(H,37,48)(H,49,50)/t12-,18-,25+,28+,31+,32-,33+,36+/m1/s1

InChIKey

ZAQHGXRGCJLEPS-PJKLZITJSA-N

Smiles

Cc1cc2c(c(c1C(=O)N[C@H](CO)C(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)[C@@H]([C@H]2O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)N(C)C)O)O)O