Basic information
- CAS
57-49-8- Standard SMILES
CCOC(=O)N(c1ccccc1)C(C)CN1CCC(O)(c2ccccc2)CC1.NS(=O)(=O)O- InChIKey
WTBBQSREXFAQOR-UHFFFAOYSA-N- Molecular formula
- C23H33N3O6S
- Average molar mass
- 479.6 g/mol
- Monoisotopic mass
- 479.20900695
Names & identifiers
- Preferred name
- Sulfamic acid, compd. with ethyl N-(2-(4-hydroxy-4-phenyl-1-piperidinyl)-1-methylethyl)-N-phenylcarbamate (1:1)
- IUPAC
- ethyl N-[1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-2-yl]-N-phenylcarbamate;sulfamic acid
Names & synonyms
57-49-8RefChem:1099162Sulfamic acid, compd. with ethyl N-(2-(4-hydroxy-4-phenyl-1-piperidinyl)-1-methylethyl)-N-phenylcarbamate (1:1)Carbanilic acid, N-(2-(4-hydroxy-4-phenylpiperidino)-1-methyl)ethyl-, ethyl ester, sulfamateDTXSID10972486WTBBQSREXFAQOR-UHFFFAOYSA-NSulfamic acid--ethyl [1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-2-yl](phenyl)carbamate (1/1)Sulfamic acid--ethyl [1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-2-yl]phenylcarbamate (1/1)
Database identifiers
- CAS
57-49-8- PubChem CID
- 5985
- DTXSID
DTXSID10972486
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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