N-trifluoroacetyl Varenicline

Basic Information

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CAS Number

230615-70-0

Molecular Formula

C15H12F3N3O

Molecular Weight

307.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

164-166 ºC

Boiling Point

491.9°C at 760 mmHg

SMILES

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C1C2CN(CC1C3=CC4=NC=CN=C4C=C23)C(=O)C(F)(F)F

InChI

InChI=1S/C15H12F3N3O/c16-15(17,18)14(22)21-6-8-3-9(7-21)11-5-13-12(4-10(8)11)19-1-2-20-13/h1-2,4-5,8-9H,3,6-7H2

InChIKey

XDLHBWIAJAKYKF-UHFFFAOYSA-N

LogP

2.605200000000001

Topological Polar Surface Area

46.09 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

441

Synonyms & References

English

CS-14090
AMY19640
1-(9,10-Dihydro-6H-6,10-methanoazepino[4,5-g]quinoxalin-8(7H)-yl)-2,2,2-trifluoroethanone
230615-70-0
NS00134158
SCHEMBL224375
XDLHBWIAJAKYKF-UHFFFAOYSA-N
6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)-
N-trifluoroacetyl Varenicline
AC-9009
DTXSID40467395
1-(9,10-Dihydro-6H-6,10-methanoazepino[4,5-g]-quinoxalin-8(7H)-yl)-2,2,2-trifluoroethanone
W-201966
10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)-
CS-B0007
C12071
6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine,7,8,9,10-tetrahydro-8-(trifluoroacetyl)-
A912723
AKOS016009787
MFCD11042284
2,2,2-trifluoro-1-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)ethanone
7,8,9,10-Tetrahydro-8-(trifluoroacetyl)-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine (N-(Trifluoroacetyl)varenicline)
6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)- (9CI)
BCP20082
7,8,9,10-Tetrahydro-8-(trifluoroacetyl)-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine
6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine,7,8,9,10-tetrahydro-8-(trifluoroacetyl)
1495AB
AX8

MDL Number

MFCD11042284

Customs Code

2933990090

FAQ

What is N-trifluoroacetyl Varenicline (CAS: 230615-70-0)?

N-trifluoroacetyl Varenicline is a pharmaceutical compound. It is a derivative of varenicline, which is used as a medication to help people stop smoking. The compound has a trifluoroacetyl group attached to the varenicline structure.

What are the main uses of N-trifluoroacetyl Varenicline (CAS: 230615-70-0)?

N-trifluoroacetyl Varenicline is primarily used as an intermediate in the synthesis of varenicline, a medication prescribed for smoking cessation. It is used in pharmaceutical research and development to improve the properties of the final drug product.

Is N-trifluoroacetyl Varenicline (CAS: 230615-70-0) safe?

N-trifluoroacetyl Varenicline (CAS: 230615-70-0) is generally safe when used as an intermediate in the production of varenicline under appropriate laboratory conditions. However, it should be handled with care as it is a chemical compound and precautions should be taken to avoid skin contact, inhalation, and ingestion. Proper protective equipment is recommended.

How should N-trifluoroacetyl Varenicline (CAS: 230615-70-0) be stored?

N-trifluoroacetyl Varenicline (CAS: 230615-70-0) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect it from moisture and air. The storage conditions should be controlled to maintain the integrity of the compound during storage and transportation.