1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride

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Basic information

CAS: 37771-09-8
Standard SMILES: CCN(CC)CCCCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCCCN(CC)CC)ccc1S2.Cl.Cl
InChIKey: ADPNEXIJDPHSQO-UHFFFAOYSA-N
Molecular formula: C31H46Cl2N2O2S
Average molar mass: 581.7 g/mol
Monoisotopic mass: 580.2657053

Names & identifiers

Preferred name: 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride
IUPAC: 5-(diethylamino)-1-[7-[5-(diethylamino)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one;dihydrochloride
English name: 5-diethylamino-1-[7-(5-diethylaminopentanoyl)-9H-thioxanthen-2-yl]pent an-1-one dihydrochloride
Molecular formula: C31H46Cl2N2O2S
Molecular weight: 0

Names & synonyms

37771-09-81-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride1,1'-(9H-Thioxanthene-2,7-diyl)bis(5-(diethylamino)-1-pentanone) dihydrochlorideDTXSID30191218RefChem:232911DTXCID40113709SCHEMBL11859109ADPNEXIJDPHSQO-UHFFFAOYSA-N2,7-Bis[5-(diethylamino)valeryl]thioxanthene dihydrochloride1,1'-(9H-Thioxanthene-2,7-diyl)bis[5-(diethylamino)pentan-1-one]--hydrogen chloride (1/2)5-diethylamino-1-[7-(5-diethylaminopentanoyl)-9H-thioxanthen-2-yl]pent an-1-one dihydrochloride

Database identifiers

CAS: 37771-09-8
PubChem CID: 216860
DTXSID: DTXSID30191218

Properties

Computed structural properties

Topological polar surface area: 65.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 16
Heavy atoms: 38
Formal charge: 0
Complexity: 609

Related reactions

1 records

New reaction record

HRID 1076897As productuspto-grants-1976_05

Compound notes

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