ChemicalBook--->CAS DataBase List--->147116-67-4

147116-67-4

147116-67-4 Structure

147116-67-4 Structure
IdentificationBack Directory
[Name]

(2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-Methoxybenzyl)quinuclidin-3-aMine
[CAS]

147116-67-4
[Synonyms]

Maropitant
(2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-Methoxybenzyl)quinuclidin-3-aMine
(2S,3S)-2-(Diphenylmethyl)-N-[2-methoxy-5-(2-methyl-2-propanyl)benzyl]quinuclidin-3-amine
(2S-cis)-N-[[5-(1,1-DiMethylethyl)-2-Methoxyphenyl]Methyl]-2-(diphenylMethyl)-1-azabicyclo[2.2.2]octan-3-aMine
1-Azabicyclo[2.2.2]octan-3-amine, N-[[5-(1,1-dimethylethyl)-2-methoxyphenyl]methyl]-2-(diphenylmethyl)-, (2S,3S)-
[EINECS(EC#)]

201-069-1
[Molecular Formula]

C32H40N2O
[MDL Number]

MFCD25541735
[MOL File]

147116-67-4.mol
[Molecular Weight]

468.673
Chemical PropertiesBack Directory
[Boiling point ]

572.6±50.0 °C(Predicted)
[density ]

1.11±0.1 g/cm3(Predicted)
[vapor pressure ]

0-0Pa at 20-25℃
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 33.33 mg/mL (71.12 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
[form ]

Solid:particulate/powder
[pka]

9.99±0.70(Predicted)
[color ]

Off-white to yellow
[InChIKey]

OMPCVMLFFSQFIX-CONSDPRKSA-N
[SMILES]

N12CCC(CC1)[C@H](NCC1=CC(C(C)(C)C)=CC=C1OC)[C@@H]2C(C1=CC=CC=C1)C1=CC=CC=C1
[LogP]

3.1-7.2 at pH2-7.5
[CAS DataBase Reference]

147116-67-4
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
[Signal word ]

Warning
[Hazard statements ]

H410-H373-H317
[Precautionary statements ]

P273-P391-P501-P260-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Skin Sens. 1
STOT RE 2
Hazard InformationBack Directory
[Uses]

Maropitant is a neurokinin type 1 (NK-1) receptor antagonist. Recent studies show that Maropitant decreased the anesthetic requirements during visceral stimulation of the ovary and ovarian ligament in dogs.
[Biological Activity]

Maropitant is a neurokinin-1 receptor (NK-1R) antagonist with in vivo antiemetic efficacy.
[in vivo]

Treatment with 1 mg/kg Maropitant citrate, significantly reduces the size of ulcerative dermatitis (UD) lesions in mice. Intravenous Maropitant decreases MAC by 16%. In contrast, epidural administration of either saline or Maropitant does not change the MAC (2.17% and 1.92 %, respectively).

[IC 50]

NK1
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

(2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-Methoxybenzyl)quinuclidin-3-aMine(147116-67-4)1HNMR
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