| CAS Number | 550-43-6 |
| Catalog Number | AG00DLM6(AGN-PC-0SINT4) |
| Chemical Name | Angustifoline |
| IUPAC Name | (2R,10S)-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one |
| InChI | InChI=1S/C14H22N2O/c1-2-4-12-11-7-10(8-15-12)13-5-3-6-14(17)16(13)9-11/h2,10-13,15H,1,3-9H2/t10?,11?,12-,13+/m0/s1 |
| InChI Key | VTIPIBIDDZPDAV-IFWUJCSASA-N |
| MDL Number | MFCD21363978 |
| Molecular Formula | C14H22N2O |
| Molecular Weight | 234.3373 |
| SMILES | O=C1N2[C@@]([C@]3(C[C@@](C2)([C@H](CC=C)NC3)[H])[H])(CCC1)[H] |
| Synonyms | angustifoline,
Angustifoline,
550-43-6,
AC1L9DOZ,
C10751,
SCHEMBL20472275,
C14-H22-N2-O,
(3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.343g/mol |
| Monoisotopic Mass | 234.173g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number