クエン酸マロピタント

Maropitant Citrate

HCID 204107CAS 359875-09-5
部分構造検索類似構造を探す

基本情報

標準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
分子式
C38H50N2O9
平均分子量
678.8 g/mol
単同位体質量
678.35163118

概要

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

名称と識別子

優先名称
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
現地名
クエン酸マロピタント
英語名
Maropitant citrate hydrate
分子式
C38H48N2O8
分子量
660.81

名称と別名

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
名称をさらに表示
CT SUPPLEMENTCT‐サプリメントクエン酸マロピタントCT-サプリメント2-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

データベース識別子

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

物性

構造計算による物性

極性表面積
158 Ų
水素結合供与体数
6
水素結合受容体数
11
回転可能結合数
13
重原子数
49

実験および物理化学的性質

Animal Drugs · 3 件

EMA approved medicines: Veterinary medicine

EMA approved medicines: Veterinary medicine

EMA approved medicines: Veterinary medicine

物理化学的性質

融点
153 · 153-159 °C(lit.)
闪点
100 °C · 100 °C
貯蔵温度
2 · 2-8°C
溶解性
2 O: · H2O: 1M at20℃、透明、無色
外見
白色からオフホワイトの結晶性粉末
水溶解度
3 mg/mL · Water: 3 mg/mL (4.42 mM)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Sens. 1 (50%)

安全データ

F
9
wgk
1
rtecs
GE7350000
ridadr
UN 3284 6.1/PG 3
risk_code
41-42/43-36/37/38-25
hazard_code
Xi,T

化学と産業

薬理情報

MeSH Pharmacological ClassificationDrugs used to prevent NAUSEA or VOMITING.
応用分野 · 2 件

説明Maropitant 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.

使用Anti-emetic.

上流・下流製品情報

サプライヤー50 社

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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