Methyl 7-chloro-6,7,8-trideoxy-3,4-O-(1-methylethylidene)-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-L-threo-α-D-galacto-octopyranoside

CAS Registry Number®

147650-54-2

CAS Name

Methyl 7-chloro-6,7,8-trideoxy-3,4-O-(1-methylethylidene)-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-L-threo-α-D-galacto-octopyranoside

Molecular Formula

C21H37ClN2O5S

Molecular Mass

465.05

Cite this Page

Methyl 7-chloro-6,7,8-trideoxy-3,4-O-(1-methylethylidene)-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-L-threo-α-D-galacto-octopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=147650-54-2 (retrieved 2024-11-22) (CAS RN: 147650-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    145-147.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H37ClN2O5S/c1-7-8-12-9-13(24(5)10-12)19(26)23-14(11(2)22)16-18-17(28-21(3,4)29-18)15(25)20(27-16)30-6/h11-18,20,25H,7-10H2,1-6H3,(H,23,26)/t11-,12+,13-,14+,15+,16+,17+,18-,20+/m0/s1

InChIKey

InChIKey=HCPHMGDEJJICGS-NQRGRALISA-N

SMILES

[C@@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@@]2([C@]3([C@@]([C@@H](O)[C@@H](SC)O2)(OC(C)(C)O3)[H])[H])[H]

Canonical SMILES

O=C(NC(C(Cl)C)C1OC(SC)C(O)C2OC(OC21)(C)C)C3N(C)CC(CCC)C3

Other Names for this Substance

  • L-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-3,4-O-(1-methylethylidene)-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-
  • L-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-3,4-O-(1-methylethylidene)-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (2S-trans)-
  • 4H-1,3-Dioxolo[4,5-c]pyran, L-threo-α-D-galacto-octopyranoside deriv.
  • Methyl 7-chloro-6,7,8-trideoxy-3,4-O-(1-methylethylidene)-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-L-threo-α-D-galacto-octopyranoside

CAS INSIGHTSTM
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