
CAS Number16286-69-4
SynonymsUNII-IE65P4OE02; 2-(hexahydro-1H-azepin-1-yl)ethyl 2-cyclohexyl-2-(3-thienyl)ethanoate citrate; Celsis (TN); Vasocet; [14]-Cetiedil citrate; Cetiedil citrate; Cetiedil citrate (USAN)
Molecular FormulaC26H39NO9S
Molecular Weight541.654
Purity96+%
Boiling Point466.9ºC at 760 mmHg
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 16286-69-4 |
| Catalog No. | 2A-0116086 |
| Chinese Name | 2-(hexahydro-1H-azepin-1-yl)ethyl α-cyclohexylthiophene-3-acetate, compound with citric acid (1:1) |
| Synonyms | UNII-IE65P4OE02; 2-(hexahydro-1H-azepin-1-yl)ethyl 2-cyclohexyl-2-(3-thienyl)ethanoate citrate; Celsis (TN); Vasocet; [14]-Cetiedil citrate; Cetiedil citrate; Cetiedil citrate (USAN) |
| Molecular Formula | C26H39NO9S |
| Molecular Weight | 541.654 |
| Purity | 96+ |
| Boiling Point | 466.9ºC at 760 mmHg |
| EINECS | 0 |
| HTC | 0 |
| UN(IATA) | 0 |
| PubChem ID | 509889 |
| SMILES | O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(OCCN1CCCCCC1)C(c1ccsc1)C1CCCCC1 |
| InChI | InChI=1S/C20H31NO2S.C6H8O7/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h10,15-17,19H,1-9,11-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChI Key | XMGJGSKRRWXOIF-UHFFFAOYSA-N |
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