Tadalafil, (6S,12AS)-

Base Information

Chemical Name:Tadalafil, (6S,12AS)-
CAS No.:629652-72-8
Molecular Formula:C₂₂H₁₉N₃O₄
Molecular Weight:389.411
Hs Code.:
UNII:HZ6QJN0D4Z
DSSTox Substance ID:DTXSID40212165
Nikkaji Number:J2.511.083H
Wikidata:Q27280173
ChEMBL ID:CHEMBL344855
Mol file:629652-72-8.mol

Synonyms:ent-Tadalafil;629652-72-8;Tadalafil, (6S,12AS)-;Tadalafil, (6S ,12aS)-;Tadalafil 6S ,12as enantiomer;UNII-HZ6QJN0D4Z;ent-IC-351;HZ6QJN0D4Z;Tadalafil impurity B [EP];CHEMBL344855;(2S,8S)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione;(6S ,12As )-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-pyrazino(1',2':1,6)pyrido(3,4-b )indole-1,4-dione;(6S,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;(6S,12aS)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-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-, (6S,12aS)-;Tadalafil impurity, 6S ,12as diastereomer- [USP];Tadalafil EP Impurity B;(6S ,12as)-tadalafil;(-)-TRANS-TADALAFIL;SCHEMBL7440401;DTXSID40212165;EX-A2847;BDBM50134134;HY-90009C;MS-26473;TADALAFIL IMPURITY B [EP IMPURITY];CS-0092070;C16117;EN300-20237865;Q27280173;TADALAFIL IMPURITY, 6S ,12AS DIASTEREOMER- [USP IMPURITY];(2S,8S)-2-(1,3-dioxaindan-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11(16),12,14-tetraene-4,7-dione;(5S,6S)-6-Benzo[1,3]dioxol-5-yl-2-methyl-2,3,6,7,12,12a-hexahydro-pyrazino[1'',2'':1,6]pyrido[3,4-b]indole-1,4-dione;(6S,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;(6S,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;Tadalafil Imp. B (EP);Tadalafil Impurity B;(6S,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 ((6S,12aS)-Tadalafil);(6S,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;(6S,12aS)-6beta-(1,3-Benzodioxole-5-yl)-2,3,6,7,12,12aalpha-hexahydro-2-methylpyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione;Tadalafil (6S,12aS) Diastereomer;Tadalafil USP Impurity B;L-Tadalafil;L-Tildenafil;(6S,12aS)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Suppliers and Price of Tadalafil, (6S,12AS)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
ent-Tadalafil
25mg
$ 1210.00

TRC
ent-Tadalafil
2.5mg
$ 155.00

Medical Isotopes, Inc.
ent-Tadalafil
25 mg
$ 2000.00

Crysdot
(6S,12aS)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione 97%
1g
$ 260.00

Crysdot
(6S,12aS)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione 97%
5g
$ 780.00

ChemScene
ent-Tadalafil 98.14%
10mg
$ 550.00

ChemScene
ent-Tadalafil 98.14%
5mg
$ 290.00

Alichem
(6S,12aS)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
5g
$ 5811.00

Alichem
(6S,12aS)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
1g
$ 1999.00

Total 16 raw suppliers

Chemical Property of Tadalafil, (6S,12AS)-

Chemical Property:

Melting Point:278-282°C
Boiling Point:679.1±55.0 °C(Predicted)
PKA:16.68±0.40(Predicted)
PSA：74.87000
Density:1.51±0.1 g/cm3(Predicted)
LogP:2.08710
Storage Temp.:-20?C Freezer
Solubility.:Chloroform (Slightly), Methanol (Slightly, Heated)
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:389.13755610
Heavy Atom Count:29
Complexity:702

Purity/Quality:

99%, ^*data from raw suppliers

ent-Tadalafil ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
Isomeric SMILES:CN1CC(=O)N2[C@H](C1=O)CC3=C([C@@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
Uses Tadalafil (T004500) analog. Tadalafil Impurity (6S,12aS) Tadalafil (T004500) analog.

Technology Process of Tadalafil, (6S,12AS)-

There total 14 articles about Tadalafil, (6S,12AS)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%