Tadalafil, (6R,12aS)-

Basic Information

View in Editor

CAS Number

171596-27-3

Molecular Formula

C22H19N3O4

Molecular Weight

389.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

295-296 ºC

Solubility

Insuluble (8.6E-3 g/L) (25 ºC),

SMILES

View in Editor

CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36

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

LogP

2.2112999999999996

Topological Polar Surface Area

74.87 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

702

Synonyms & References

English

cis-Tadalafil
(6R,12aS)-
Tadalafil IMpurity: IMpurity H
(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, 12a...
Tadalafil Epimer
cis-ent-Tadalafil
PYR403
UNII-E319TQ0B6R
(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,12S-Tadalafil
Tadanafil Impurity A
Calais EP Impurity A
12-epi-TadalafilTadalafil
Tadanafil EP or USP impurity A
Tadalafil EP IMpurity A (cis-tadalafil)
(6R,12S)-Tadalafil;(6R,12aS)
(6R ,12as)-tadalafil
Tadalafil, (6R ,12aS)-
A1-01756
(2R,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
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 EP Impurity A
171596-27-3
Tadalafil Impurity A (6R,12S-Tadalafil)
BDBM50134149
AKOS030529163
Tadalafil specified impurity A [EP]
CS-0092069
Tadalafil impurity, 6R ,12as diastereomer- [USP]
Tadalafil 6R ,12as diastereomer

MDL Number

MFCD23380728

FAQ

What regulatory guidelines apply to Tadalafil (CAS: 171596-27-3)?

Regulatory guidelines for Tadalafil include adherence to the Chemical Abstracts Service (CAS) registry number 171596-27-3. It is subject to the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations in the EU, which require manufacturers and importers to register substances and provide safety data sheets (SDS). Additionally, the U.S. Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) have specific requirements for the handling, storage, and disposal of Tadalafil, including GHS classification for health and environmental hazards.

Are there alternatives to Tadalafil (CAS: 171596-27-3) in synthesis?

In synthesis, alternatives to Tadalafil include using related PDE5 inhibitors such as sildenafil, vardenafil, or avanafil. These alternatives can be used as starting materials or as intermediates in the synthesis of Tadalafil. Isomers and analogs, such as the 6R,12aS-isomer, are also relevant in the synthesis of Tadalafil, providing flexibility in the manufacturing process.

What is the market or research trend for Tadalafil (CAS: 171596-27-3)?

The market for Tadalafil is characterized by a focus on its therapeutic applications, particularly in erectile dysfunction and benign prostatic hyperplasia. Research trends include ongoing studies on its potential uses in cardiovascular diseases and other conditions. Market trends show a stable demand, with price and revenue growing steadily. Emerging research is exploring the compound's mechanism of action and potential for personalized medicine approaches.

How should waste containing Tadalafil (CAS: 171596-27-3) be handled?

Waste containing Tadalafil should be collected in appropriate containers and handled according to environmental protection standards. Incineration or professional waste disposal services are recommended to ensure safe disposal. Environmental precautions include minimizing the release of Tadalafil into the environment, and proper labeling and documentation of waste disposal to comply with local regulations. It is crucial to follow safe handling procedures to prevent exposure and ensure compliance with regulatory requirements.