Carsatrin, (S)-

HCID 72049

Notes Reactions

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Basic information

CAS: 125345-93-9
Standard SMILES: O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIKey: JOMBZLFCXNSKEQ-NRFANRHFSA-N
Molecular formula: C25H26F2N6OS
Average molar mass: 496.6 g/mol
Monoisotopic mass: 496.18568697

Names & identifiers

Preferred name: Carsatrin, (S)-
IUPAC: (2S)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol

Names & synonyms

Carsatrin, (S)-0183L9B2Q9UNII-0183L9B2Q9125345-93-91-Piperazineethanol, 4-(bis(4-fluorophenyl)methyl)-alpha-((1H-purin-6-ylthio)methyl)-, (alphaS)-SCHEMBL6369635JOMBZLFCXNSKEQ-NRFANRHFSA-NNS00122599(2S)-(+)-6-[1-[1-[Bis(4-fluorophenyl)methyl]piperazin-4-yl]-2-hydroxy-3-propanylthio]purine1-PIPERAZINEETHANOL, 4-(BIS(4-FLUOROPHENYL)METHYL)-.ALPHA.-((1H-PURIN-6-YLTHIO)METHYL)-, (.ALPHA.S)-

Database identifiers

CAS: 125345-93-9
PubChem CID: 72049
UNII: 0183L9B2Q9
Nikkaji: J1.238.680J

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 106 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 35
Formal charge: 0
Complexity: 621

Related reactions

3 records

New reaction record

HRID 373625As productuspto-grants-1992_11

HRID 1493546As productuspto-grants-1991_06

HRID 2352431As productuspto-grants-1989_10

Compound notes

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