Celgosivir

CAS Registry Number®

121104-96-9

CAS Name

Celgosivir

Molecular Formula

C12H21NO5

Molecular Mass

259.30

Cite this Page

Celgosivir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121104-96-9 (retrieved 2025-03-28) (CAS RN: 121104-96-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    65 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1

InChIKey

InChIKey=HTJGLYIJVSDQAE-VWNXEWBOSA-N

SMILES

O[C@@H]1[C@@]2(N(C[C@H](OC(CCC)=O)[C@H]1O)CC[C@@H]2O)[H]

Canonical SMILES

O=C(OC1CN2CCC(O)C2C(O)C1O)CCC

Other Names for this Substance

  • Butanoic acid, (1S,6S,7S,8R,8aR)-octahydro-1,7,8-trihydroxy-6-indolizinyl ester
  • Butanoic acid, octahydro-1,7,8-trihydroxy-6-indolizinyl ester, [1S-(1α,6β,7α,8β,8aβ)]-
  • 6-O-Butanoylcastanospermine
  • MDL 28574
  • BuCast

View All

Deleted or Replaced CAS Registry Numbers

134998-67-7

CAS INSIGHTSTM
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