(6R,12aR)-2-Amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Basic Information

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CAS Number

385769-84-6

Molecular Formula

C21H18N4O4

Molecular Weight

390.4 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 Amines

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

270-273°C

Solubility

Insuluble (5.1E-3 g/L) (25 ºC),

SMILES

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C1C2C(=O)N(CC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)N

InChI

InChI=1S/C21H18N4O4/c22-24-9-18(26)25-15(21(24)27)8-13-12-3-1-2-4-14(12)23-19(13)20(25)11-5-6-16-17(7-11)29-10-28-16/h1-7,15,20,23H,8-10,22H2/t15-,20-/m1/s1

InChIKey

VUKJGAVIWMPOOJ-FOIQADDNSA-N

LogP

1.4551999999999998

Topological Polar Surface Area

100.89000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

704

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione, 2-amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-, (6r,12ar)-
FY501QO030
DTXSID50191896
Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 2-amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-, (6R,12aR)-; Aminotadalafil; (6R,12aR)-2-Amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
AS-79374
Q27278279
Amino Tadalafil
385769-84-6
NS00008835
HY-117109
(2R,8R)-6-amino-2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
AKOS027326874
SCHEMBL19975686
Aminotadalafil
UNII-FY501QO030
RR-ATDF
((6R,12aR)-2-amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione
Amino-tadalafil
CHEMBL1774619
CS-0063744
AMINOTADALAFIL [MART.]
Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione,2-amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-, (6R,12aR)-
(6R,12aR)-2-Amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione,2-amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,1...
(6R,12aR)-2-Amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
tadalafil
(6R,12aR)-2-Amino-6-(benzo[d][1,3]dioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

MDL Number

MFCD09752152

Customs Code

29339900

FAQ

What is (6R,12aR)-2-Amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione (CAS: 385769-84-6)?

This compound is a heterocyclic amine with a hexahydropyrazino structure. It is characterized by its amino group and 1,3-benzodioxol-5-yl substituent. The compound is not commonly used in daily life but is of interest in pharmaceutical and synthetic chemistry due to its potential biological activities.

What are the main uses of (6R,12aR)-2-Amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione (CAS: 385769-84-6)?

This compound is mainly used in the pharmaceutical industry as a precursor or intermediate for the synthesis of other bioactive compounds. It is also of interest in academic research for exploring its potential biological properties.

Is (6R,12aR)-2-Amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione (CAS: 385769-84-6) safe?

The safety of this compound depends on the context of its use. In appropriate laboratory settings and under controlled conditions, it is generally safe. However, direct skin contact or inhalation should be avoided, and proper ventilation and protective clothing are recommended. Users should follow all safety guidelines provided by the manufacturer.

How should (6R,12aR)-2-Amino-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione (CAS: 385769-84-6) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent moisture and air exposure. The storage temperature should be below 25°C (77°F) to maintain its stability and integrity.