200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 99095-10-0
99095-10-0 | Tandospirone hydrochloride (Metanopirone)
CAS No: 99095-10-0 Catalog No: AG01ENGS MDL No:
Product Description
Catalog Number:
AG01ENGS
Chemical Name:
Tandospirone hydrochloride (Metanopirone)
CAS Number:
99095-10-0
Molecular Formula:
C21H30ClN5O2
Molecular Weight:
419.9482
IUPAC Name:
(1R,2S,6R,7S)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione;hydrochloride
InChI:
InChI=1S/C21H29N5O2.ClH/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21;/h3,6-7,15-18H,1-2,4-5,8-14H2;1H/t15-,16+,17+,18-;
InChI Key:
ACVFJYKNBOHIMH-DPFKZJTMSA-N
SMILES:
O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1.Cl
UNII:
RWR6SLB9P6
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
419.209g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.954g/mol
Monoisotopic Mass:
419.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.