Maropitant Citrate (HCID 204107)

Overview

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

Names & identifiers

Preferred name: 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
English name: Maropitant citrate hydrate
Molecular formula: C38H48N2O8
Molecular weight: 660.81

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 158 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 11
Rotatable bonds: 13
Heavy atoms: 49
Formal charge: 0
Complexity: 848

Experimental & physicochemical properties

Animal Drugs · 3 items

EMA approved medicines: Veterinary medicine

Physicochemical properties

Melting point: 153 · 153-159 °C(lit.)
Flash point: 100 °C · 100 °C
storage temp.: 2 · 2-8°C
solubility: 2 O: · H2O: 1 M at 20 °C, clear, colorless
form: white to off-white crystalline powder
Water Solubility: 3 mg/mL · Water: 3 mg/mL (4.42 mM)
Major Application: agricultureenvironmentalfood and beverages || microbiology
InChIKey: XDZPFSKCXRGRIO-OHTRWSNQNA-N
SMILES: C(O)(C(=O)O)(CC(=O)O)CC(=O)O.C(C1C=CC=CC=1)(C1C=CC=CC=1)[C@@H]1N2CCC(CC2)[C@@H]1NCC1C=C(C(C)(C)C)C=CC=1OC |&1:26,33,r|
CAS DataBase Reference: 359875 · 359875-09-5(CAS DataBase Reference)
FDA UNII: 6 S3999X · LXN6S3999X
UNSPSC Code: 41171614 · 41171614
NACRES: 85 · NA.85
Symbol(GHS): 8 · GHS08,GHS09,GHS05
Signal word: Danger
Hazard statements: 400 · H400-H373-H318-H410
Precautionary statements: 273 · P273-P391-P501-P273-P391-P501-P260-P314-P501-P280-P305+P351+P338-P310
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: Xi,T
Risk Statements: 41 · 41-42/43-36/37/38-25
Safety Statements: 26 · 26-39-45-36/37-22
RIDADR: 3284 · UN 3284 6.1/PG 3
WGK Germany: 1 · 1
RTECS: 7350000 · GE7350000
F: 9 · 9
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (50%)

Safety data

F: 9
PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 1
rtecs: GE7350000
ridadr: UN 3284 6.1/PG 3
risk_code: 41-42/43-36/37/38-25
Signal word: Danger
Symbol(GHS): GHS08,GHS09,GHS05
hazard_code: Xi,T
safety_code: 26-39-45-36/37-22
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H400-H373-H318-H410
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
Precautionary statements: P273-P391-P501-P273-P391-P501-P260-P314-P501-P280-P305+P351+P338-P310

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationDrugs used to prevent NAUSEA or VOMITING.

Applications · 2 items

DescriptionMaropitant 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.

UsesAnti-emetic.

Upstream & downstream products

Upstream raw materials

(2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-Methoxybenzyl)quinuclidin-3-aMine Citric acid

Suppliers50 total

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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Basic information