| CAS Number | 1008763-54-9 |
| Catalog Number | AG008TFC |
| Chemical Name | 3-(2-Aminoethyl)-1,3-dihydro-5-methoxy-1-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]carbonyl]-2H-benzimidazol-2-one hydrochloride |
| IUPAC Name | 3-(2-aminoethyl)-5-methoxy-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]benzimidazol-2-one;hydrochloride |
| InChI | InChI=1S/C21H31N3O3.ClH/c1-13(2)16-7-5-14(3)11-17(16)20(25)24-18-8-6-15(27-4)12-19(18)23(10-9-22)21(24)26;/h6,8,12-14,16-17H,5,7,9-11,22H2,1-4H3;1H/t14-,16+,17-;/m1./s1 |
| InChI Key | DYMRNRVXSXCQHZ-UANXYBPYSA-N |
| MDL Number | MFCD22665741 |
| Molecular Formula | C21H32ClN3O3 |
| Molecular Weight | 409.9501 |
| SMILES | C(=O)(n1c2c(n(c1=O)CCN)cc(cc2)OC)[C@H]1[C@H](C(C)C)CC[C@H](C1)C.Cl |
| UNII | R82GTC01OB |
| Synonyms | D-3263 (hydrochloride),
D-3263 hydrochloride,
UNII-R82GTC01OB,
R82GTC01OB,
1008763-54-9,
D3263 HCl salt,
EC D-3263 HCl,
HY-16162A,
CS-5891,
3-(2-Amino-ethyl)-1(R)-((2(S)-isopropyl-5(R)-methyl cyclohexanecarbonyl))-5-methoxy-1,3-dihydro-benzoimidazol-2-one hydrochloride,
D3263 HCl,
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| Complexity | 553 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 409.213g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.955g/mol |
| Monoisotopic Mass | 409.213g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number