Basic information
- CAS
134100-29-1- Standard SMILES
CC(=O)NC1CN2CCC(O)C2C(O)C1O- InChIKey
IHKWXDCSAKJQKM-UHFFFAOYSA-N- Molecular formula
- C10H18N2O4
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.12665706
Names & identifiers
- Preferred name
- N-(1,7,8-Trihydroxyoctahydroindolizin-6-yl)acetamide
- IUPAC
- N-(1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)acetamide
- English name
- 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE
- Molecular formula
- C10H18N2O4
- Molecular weight
- 230.26
Names & synonyms
N-(1,7,8-Trihydroxyoctahydroindolizin-6-yl)acetamideDTXSID30601620RefChem:359839DTXCID00552377134100-29-1N-(1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)acetamide6-ACETAMIDO-6-DEOXY-CASTANOSPERMINEAcetamide, N-(1S,6S,7R,8R,8aR)-octahydro-1,7,8-trihydroxy-6-indolizinyl-
Database identifiers
- CAS
134100-29-1- PubChem CID
- 19978366
- DTXSID
DTXSID30601620
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationAcetamide, N-(1S,6S,7R,8R,8aR)-octahydro-1,7,8-trihydroxy-6-indolizinyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Applications
Useshexosaminidase inhibitor
Suppliers3 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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