(3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0~4,9~.0~18,22~]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one

Basic Information

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CAS Number

1802220-02-5

Molecular Formula

C18H18FN5O2

Molecular Weight

355.37 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C[C@H]1CNC(=O)c2cnn3c2nc(N[C@@H](c2c(O1)ccc(c2)F)C)cc3

InChI

InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1

InChIKey

FIKPXCOQUIZNHB-WDEREUQCSA-N

LogP

2.552200000000001

Topological Polar Surface Area

80.55000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

524

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

TPX-0005
Repotrectinib
Ropotrectinib
08O3FQ4UNP
Repotrectinib (USAN)
Repotrectinib [USAN]
GTPL10316
TPX0005
TPX 0005 [WHO-DD]
BDBM374727
US10246466

MDL Number

MFCD31544350

FAQ

What is (3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0~4,9~.0~18,22~]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one (CAS: 1802220-02-5)?

(3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0~4,9~.0~18,22~]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one is a complex organic compound with the CAS number 1802220-02-5. It consists of a 21-membered ring with multiple functional groups such as a fluoro group, methyl groups, and azo groups. This compound is primarily used in research and pharmaceutical applications for developing new drugs and analytical reagents.

What are the main uses of (3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0~4,9~.0~18,22~]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one (CAS: 1802220-02-5)?

(3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0~4,9~.0~18,22~]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one is mainly used in pharmaceutical research for drug development and as a chemical reagent in analytical chemistry. It can also be utilized in the formulation of certain medicinal products and as a component in laboratory testing procedures.

Is (3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0~4,9~.0~18,22~]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one (CAS: 1802220-02-5) safe?

(3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0~4,9~.0~18,22~]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one (CAS: 1802220-02-5) is generally safe when handled with appropriate precautions. Users should wear protective gloves and goggles, and ensure adequate ventilation. It is important to avoid skin contact and inhalation of the compound. Safe storage and disposal procedures are recommended to prevent environmental contamination.

How should (3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0~4,9~.0~18,22~]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one (CAS: 1802220-02-5) be stored?

(3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0~4,9~.0~18,22~]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one (CAS: 1802220-02-5) should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation. Store at a temperature not exceeding 25°C to maintain its stability. Proper labeling and documentation are essential for safe management and handling.