Monohydroxy Netupitant

Basic Information

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CAS Number

910808-12-7

Molecular Formula

C30H32F6N4O2

Molecular Weight

594.6 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(C)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)N(C)C2=CN=C(C=C2C3=CC=CC=C3CO)N4CCN(CC4)C

InChI

InChI=1S/C30H32F6N4O2/c1-28(2,20-13-21(29(31,32)33)15-22(14-20)30(34,35)36)27(42)39(4)25-17-37-26(40-11-9-38(3)10-12-40)16-24(25)23-8-6-5-7-19(23)18-41/h5-8,13-17,41H,9-12,18H2,1-4H3

InChIKey

CUGOZHKFGSQBGD-UHFFFAOYSA-N

LogP

5.9709000000000065

Topological Polar Surface Area

59.91000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

885

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Monohydroxy Netupitant
Netupitant metabolite Monohydroxy Netupitant
N-[4-[2-(Hydroxymethyl)phenyl]-6-(4-methyl-1-piperazinyl)-3-pyridinyl]-N,α,α-trimethyl-3,5-bis(trifluoromethyl)benzeneacetamide (ACI)
2-[3,5-Bis(trifluoromethyl)phenyl]-N-[4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)pyridin-3-yl]-N,2-dimethylpropanamide
2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-(hydroxymethyl)phenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl)-N,2-dimethylpropanamide
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(2-hydroxymethyl-phenyl)-6-(4-methyl-piperazin-1-yl)-pyridin-3-yl]-N-methyl-isobutyramide
NetupitantmetaboliteMonohydroxyNetupitant
RO-0731519
HY-G0012
NETUPITANT METABOLITE M3
BENZENEACETAMIDE, N-(4-(2-(HYDROXYMETHYL)PHENYL)-6-(4-METHYL-1-PIPERAZINYL)-3-PYRIDINYL)-N,.ALPHA.,.ALPHA.-TRIMETHYL-3,5-BIS(TRIFLUOROMETHYL)-
SCHEMBL4257246
DA-55624
V5Y2A6BA23
EX-A3288
N-(4-(2-(HYDROXYMETHYL)PHENYL)-6-(4-METHYL-1-PIPERAZINYL)-3-PYRIDINYL)-N,.ALPHA.,.ALPHA.-TRIMETHYL-3,5-BIS(TRIFLUOROMETHYL)BENZENEACETAMIDE
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)pyridin-3-yl]-N,2-dimethylpropanamide
AKOS030526985
BCP13241
910808-12-7

MDL Number

MFCD28900727

FAQ

What is Monohydroxy Netupitant (CAS: 910808-12-7)?

Monohydroxy Netupitant is a chemical compound with the CAS number 910808-12-7. It is a monohydroxy derivative of netupitant, used in the treatment of chemotherapy-induced nausea and vomiting.

What are the main uses of Monohydroxy Netupitant (CAS: 910808-12-7)?

Monohydroxy Netupitant is primarily used in the pharmaceutical industry for treating chemotherapy-induced nausea and vomiting. It is administered as an oral medication to patients undergoing chemotherapy to prevent these side effects.

Is Monohydroxy Netupitant (CAS: 910808-12-7) safe?

Monohydroxy Netupitant is generally considered safe when used under medical supervision. However, it is important to follow all safety guidelines and precautions provided by healthcare professionals to minimize potential risks.

How should Monohydroxy Netupitant (CAS: 910808-12-7) be stored?

Monohydroxy Netupitant should be stored at controlled room temperature, between 15°C and 30°C (59°F and 86°F). It should be kept in a tightly sealed container, protected from light and moisture. It should be stored out of reach of children and away from incompatible materials.