Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)
chloromethyl (1R,9R,10S,13S,14R,16S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-18-carboxylate;hydrochloride
Also Known As: AC1Q3BJF|LORAJMINE HYDROCHLORIDE|AC1L20A8|Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)|Chloromethyl (16xi)-21alpha-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)|chloromethyl(16|I,21|A)-21-hydroxyajmalan-17-carboxylate hydrochloride(1:1)
| Molecular Formula | C22H28Cl2N2O3 |
|---|---|
| Molecular Weight | 438.1477 g/mol |
| LogP | 2.97 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.1477 |
| Heavy Atoms | 29 |
| Complexity | 853.1 |
Chemical Identifiers
| CAS Number | 40819-93-0 |
|---|---|
| SMILES | CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)C4C(=O)OCCl)O.Cl |
Product Overview
Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1) (CAS 40819-93-0), with molecular formula C22H28Cl2N2O3 and molecular weight 438.1477 g/mol. IUPAC: chloromethyl (1R,9R,10S,13S,14R,16S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-18-carboxylate;hydrochloride.
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