Celgosivir
CAS Registry Number®
121104-96-9
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CAS Name
CelgosivirMolecular Formula
C12H21NO5Molecular Mass
259.30Cite 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 ) (CAS RN: 121104-96-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
114-115 °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
Deleted or Replaced CAS Registry Numbers
134998-67-7
