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Pitavastatin calcium salt

View entire compound with spectra: 1 FTIR

Pitavastatin calcium salt
SpectraBase Compound ID EQ5Itv1sIpS
InChI InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1
InChIKey RHGYHLPFVJEAOC-FFNUKLMVSA-L
Mol Weight 881.0 g/mol
Molecular Formula C50H46CaF2N2O8
Exact Mass 880.284814 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EvE9a2MpSw6
Name Pitavastatin calcium salt
Source of Sample Cayman Chemical Company
Catalog Number 15414
Lot Number 0540282-6
Apodization Function Norton-Beer, medium
CAS Registry Number 147526-32-7
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H46CaF2N2O8
IUPAC Name (3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid, monocalcium salt
InChI InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1
InChIKey RHGYHLPFVJEAOC-FFNUKLMVSA-L
Instrument Name Bio-Rad FTS
SMILES O[C@](C[C@@](\C=C\c1c(c2c(nc1C1CC1)cccc2)-c1ccc(cc1)F)(O)[H])(CC([O-])=O)[H].O[C@](C[C@@](\C=C\c1c(c2c(nc1C1CC1)cccc2)-c1ccc(cc1)F)(O)[H])(CC([O-])=O)[H].[Ca+2]
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms Itabastatin; Itavastatin; NK 104
Technique KBr0