| CAS Number | 1126084-37-4 |
| Catalog Number | AG0092VM |
| Chemical Name | ASP-9521 |
| IUPAC Name | [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone |
| InChI | InChI=1S/C19H26N2O3/c1-19(2,23)12-13-6-8-21(9-7-13)18(22)17-11-14-10-15(24-3)4-5-16(14)20-17/h4-5,10-11,13,20,23H,6-9,12H2,1-3H3 |
| InChI Key | OXSCPDKUZWPWFR-UHFFFAOYSA-N |
| MDL Number | MFCD30532740 |
| Molecular Formula | C19H26N2O3 |
| Molecular Weight | 330.4213 |
| SMILES | OC(CC1CCN(CC1)C(=O)C=1NC2=CC=C(C=C2C1)OC)(C)C |
| Synonyms | 1-(1-((5-methoxy-1H-indol-2-yl)carbonyl)piperidin-4-yl)-2-methylpropan-2-ol,
ASP9521,
ASP-9521,
1126084-37-4,
ASP 9521,
1-[1-[(5-Methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl]-2-methylpropan-2-ol,
1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-2-methylpropan-2-ol,
SCHEMBL3099404,
ASP9521,
OXSCPDKUZWPWFR-UHFFFAOYSA-N,
BCP20729,
AKOS032962873,
CS-6921,
HY-19903,
AK00792700,
A14412,
4-(2-Hydroxy-2-methylpropyl)piperidino(5-methoxy-1H-indole-2-yl)methanone,
(4-(2-Hydroxy-2-methylpropyl)piperidin-1-yl)(5-methoxy-1H-indol-2-yl)methanone,
[4-(2-Hydroxy-2-methylpropyl)-1-piperidinyl](5-methoxy-1H-indol-2-yl)methanone,
1-{1-[(5-methoxy-1h-indol-2-yl)carbonyl] piperidin-4-yl}-2-methylpropan-2-ol,
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.428g/mol |
| Monoisotopic Mass | 330.194g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number