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Maropitant Citrate

HCID 204107
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기본 정보

CAS
359875-09-5
표준 SMILES
COc1ccc(C(C)(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1.O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
PGVSXRHFXJOMGW-YBZGWEFGSA-N
분자식
C38H50N2O9
평균 분자량
678.8 g/mol
단동위원소 질량
678.35163118

개요

Maropitant Citrate is a neurokinin receptor antagonist with antiemetic activity. This agent is approved for veterinary use only.

이름 및 식별자

우선 이름
Maropitant Citrate
IUPAC
(2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
현지명
CT보충
영어명
Maropitant citrate hydrate
분자식
C38H48N2O8
분자량
660.81

이름 및 동의어

Maropitant citrate359875-09-5Maropitant citrate hydrateCereniaCJ-11,972MAROPITANT CITRATE MONOHYDRATELXN6S3999XCJ-119721-Azabicyclo(2.2.2)octan-3-amine, N-((5-(1,1-dimethylethyl)-2-methoxyphenyl)methyl)-2-(diphenylmethyl)-, (2S,3S)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), monohydrate(2S,3S)-N-(5-(1,1-Dimethylethyl)-2-methoxybenzyl)-2-(diphenylmethyl)-1-azabicyclo(2.2.2)octan-3-amine 2-hydroxy-1,2,3-propanetricarboxylate (1:1), monohydrateCeritantEmeprev
이름 더 보기
CT보충2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACIDFEMA 2306Maropitan citrateethyl[(1R)-1-[(2R)-oxolan-2-yl]-2-phenylethyl]amine4-(4-fluorophenyl)-1-[4-(1,2,4-triazol-1-yl)butyl]-3,6-dihydro-2H-pyridine(7S,8S)-7-benzhydryl-N-[(2-methoxy-5-tert-butyl-phenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amineACIDUM CITRICUM ANHYDRICUM
ComforTrateComfor-trate(2S,3S)-N-[5-(1,1-Dimethylethyl)-2-methoxybenzyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine 2-hydroxy-1,2,3-propanetricarboxylate (1:1), monohydrateRefChem:56960(2S,3S)-2-benzhydryl-N-(5-(tert-butyl)-2-methoxybenzyl)quinuclidin-3-amine 2-hydroxypropane-1,2,3-tricarboxylate hydrateMaropitant citrate [USAN]Maropitant citrate (USAN)(2S,3S)-2-Benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Citrate Hydrate

데이터베이스 식별자

CAS
359875-09-5
PubChem CID
204107
DTXSID
DTXSID70957411
ChEMBL
CHEMBL2107353
UNII
LXN6S3999X
EC Number
837-630-8

물성

구조 계산 물성

극성 표면적
158 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
11
회전 가능 결합 수
13
무거운 원자 수
49

실험 및 물리화학적 성질

Animal Drugs · 3건

EMA approved medicines: Veterinary medicine

EMA approved medicines: Veterinary medicine

EMA approved medicines: Veterinary medicine

물리화학적 성질

녹는점
153 · 153-159 °C(lit.)
인화점
100 °C · 100 °C
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: 1 M at 20 °C, 투명, 무색
물리적 상태
white to off-white crystalline powder
수용성
3 mg/mL · Water: 3 mg/mL (4.42 mM)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P260, P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P319, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Sens. 1 (50%)

안전 데이터

wgk
1
rtecs
GE7350000
ridadr
UN 3284 6.1/PG 3
risk_code
41-42/43-36/37/38-25
hazard_code
Xi,T
safety_code
26-39-45-36/37-22

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationDrugs used to prevent NAUSEA or VOMITING.
응용 분야 · 2건

개요Maropitant citrate hydrate is a specific neurokinin-1 (NK-1) receptor antagonist that selectively inhibits the production of substance P, a mediator involved in signalling vomiting. Maropitant citrate was therefore originally used to treat vomiting in dogs and cats. Currently, it is also used as an adjunct to visceral analgesia in dogs and cats, and in other species such as horses and birds.

용도Anti-emetic.

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
山东科立康药业有限公司053-88113608 17854192669
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

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