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Substance Name: EINECS 252-442-0
RN: 35208-55-0
InChIKey: OYSKUZDIHNKWLV-CXOOOYNYSA-N

Molecular Formula

  • C34-H63-Cl-N2-O6-S

Molecular Weight

  • 663.399
 
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Names and Synonyms

Results Name

  • EINECS 252-442-0

Synonym

  • EINECS 252-442-0

Systematic Names

  • L-threo-alpha-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-((((2S,5R)-1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, 2-hexadecanoate
  • Methyl (2S-trans)-7-chloro-6,7,8-trideoxy-6-(((1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-L-threo-alpha-D-galacto-octopyranoside, monopalmitate (ester)

Registry Numbers

CAS Registry Number

  • 35208-55-0

Related Registry Number

  • 25507-04-4 (hydrochloride)

System Generated Number

  • 0035208550

Structure Descriptors

InChI

1S/C34H63ClN2O6S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41)/t24?,25-,26?,28?,29?,30?,31?,32?,34?/m1/s1

InChIKey

OYSKUZDIHNKWLV-CXOOOYNYSA-N

Smiles

C1[C@H](C[N@@](C)[C@@H]1C(N[C@@H]([C@@H]1O[C@@H](SC)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@@H]1O)[C@@H](Cl)C)=O)CCC