DTXSID60951680

[(9S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;piperazine

CAS: 29080-16-8

Molecular Formula	`C22H32N2O5S`
Molecular Weight	436.6 g/mol
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	436.2032
Heavy Atoms	30
Complexity	650.0

Chemical Identifiers

CAS Number	29080-16-8
SMILES	`CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1`
InChIKey	`HZEQBCVBILBTEP-GWKMLMIWSA-N`

📖 Product Overview

DTXSID60951680 (CAS: 29080-16-8) is a chemical compound with molecular formula C22H32N2O5S and molecular weight 436.6 g/mol. Its IUPAC systematic name is [(9S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;piperazine. Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 2 Exact Mass 436.2032 Heavy Atoms 30 Complexity 650.0 InChI Key: HZEQBCVBILBTEP-GWKMLMIWSA-N. SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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