| CAS Number | 1200133-34-1 |
| Catalog Number | AG008TKI(AGN-PC-0PE3H6) |
| Chemical Name | VCH-916 |
| IUPAC Name | potassium;5-(cyclohexen-1-yl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate |
| InChI | InChI=1S/C26H37NO4S.K/c1-17-8-10-19(11-9-17)25(28)27(20-12-14-21(31-2)15-13-20)22-16-23(32-24(22)26(29)30)18-6-4-3-5-7-18;/h6,16-17,19-21H,3-5,7-15H2,1-2H3,(H,29,30);/q;+1/p-1 |
| InChI Key | RYXIBQLRUHDYEE-UHFFFAOYSA-M |
| MDL Number | MFCD25541650 |
| Molecular Formula | C26H36KNO4S |
| Molecular Weight | 497.7316 |
| SMILES | C1(C(O[K])=O)SC(C2CCCCC=2)=CC=1N([C@@H]1CC[C@@H](OC)CC1)C([C@@H]1CC[C@@H](C)CC1)=O |
| Synonyms | VCH-916,
1200133-34-1,
VCH916,
DTXSID00677372,
BCP02032,
AKOS032947218,
CS-1224,
4CA-1317,
HY-13465,
FT-0748515,
W-6066,
potassium 5-(cyclohex-1-en-1-yl)-3-(N-(4-methoxycyclohexyl)-4-methylcyclohexane-1-carboxamido)thiophene-2-carboxylate,
Potassium 5-(cyclohex-1-en-1-yl)-3-[(4-methoxycyclohexyl)(4-methylcyclohexane-1-carbonyl)amino]thiophene-2-carboxylate,
potassium,5-(cyclohexen-1-yl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate,
VCH-916;5-(1-Cyclohexen-1-yl)-3-[(trans-4-methoxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-2-thiophenecarboxylic acid potassium salt,
RYXIBQLRUHDYEE-UHFFFAOYSA-M,
LY 2784544,
A12374,
|
| Complexity | 700 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 497.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 497.735g/mol |
| Monoisotopic Mass | 497.2g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 97.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number