ChemicalBook--->CAS DataBase List--->171596-27-3

171596-27-3

171596-27-3 Structure

171596-27-3 Structure
IdentificationBack Directory
[Name]

cis-Tadalafil
[CAS]

171596-27-3
[Synonyms]

(6R,12aS)-
is-Tadalafil
cis-Tadalafil
Tadalafil-001
6R,12S-Tadalafil
Tadalafil Epimer
Tadalafil-001-6R12S
Tadanafil Impurity A
Tadalafil Impurity 13
Calais EP Impurity A
12-epi-TadalafilTadalafil
6R,12S-Tadalafil(Impurity A)
Tadalafil impurity 3(Isomer)
Tadanafil EP or USP impurity A
Tadalafil IMpurity: IMpurity H
6R,12S-Tadalafil (EP Impurity A)
Tadalafil EP IMpurity A (cis-tadalafil)
Tadalafil Impurity A (6R,12S-Tadalafil)
Tadalafil EP Impurity A ((6R,12S)-Tadalafil)
Tadanafil EP Impurity A ((6R, 12S)-Tadanafil)
Tadalafil Impurity 13 (Tadalafil EP Impurity A)
(6R,12aS)-6-(1,3-benzodioxol-5-yl)-2-Methyl-2,3,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indole-1,4-dione
(6R,12aS)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methylpyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
(6R,12aS)-6-(benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
(6R,12aS)-2,3,6,7,12,12a-hexahydro-2-methyl-6-(3,4-methylenedioxyphenyl)-pyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione
Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione,6-(1,3- benzodioxol-5-yl)-2,3,6,7,12, 12a-hexahydro-2-Methyl-,(6R, 12aS)-
Tadalafil impurity 1/Tadalafil EP Impurity A/ (6R,12aS)-6-(benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
[Molecular Formula]

C22H19N3O4
[MDL Number]

MFCD23380728
[MOL File]

171596-27-3.mol
[Molecular Weight]

389.4
Chemical PropertiesBack Directory
[Melting point ]

285-287 °C(Solv: toluene (108-88-3))
[Boiling point ]

679.1±55.0 °C(Predicted)
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), DMSO (Slightly, Methanol (Slightly)
[form ]

Solid
[pka]

16.68±0.40(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21+/m0/s1
[InChIKey]

WOXKDUGGOYFFRN-HRAATJIYSA-N
[SMILES]

N1C2=C(C=CC=C2)C2C[C@@]3([H])C(=O)N(C)CC(=O)N3[C@H](C3=CC=C4OCOC4=C3)C1=2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H312-H332-H315-H319-H302
[Precautionary statements ]

P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

The (6R)-cis-enantiomer of Tadalafil (T004500).
Spectrum DetailBack Directory
[Spectrum Detail]

cis-Tadalafil(171596-27-3)1HNMR
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