Basic Information | Post buying leads | Suppliers |
Name |
Maropitant citrate |
EINECS | 201-069-1 |
CAS No. | 359875-09-5 | Density | N/A |
PSA | 33.95000 | LogP | 2.92460 |
Solubility | N/A | Melting Point |
153-159 °C(lit.) |
Formula | C38H50N2O9 | Boiling Point | 572.6 °C at 760 mmHg |
Molecular Weight | 678.823 | Flash Point | 300.1 °C |
Transport Information | N/A | Appearance | UN 3284 6.1/PG 3 |
Safety | 26-39-45-36/37-22 | Risk Codes | 41-42/43-36/37/38-25 |
Molecular Structure | Hazard Symbols | T,Xi | |
Synonyms |
CJ-11,972;(7S,8S)-7-Benzhydryl-N-[(2-methoxy-5-tert-butyl-phenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid; hydrate; |
(2S,3S)-N-(5-tert-butyl-2-methoxyphenyl)methyl-2-diphenylmethyl-1-azabicyclo[2.2.2]octane-3-amine
citric acid
(2S,3S)-2-benzhydryl-N-(5-tert-butyl-2-methoxybenzyl)quinuclidin-3-amine citrate monohydrate
Conditions | Yield |
---|---|
With water In acetone at 38 - 42℃; |
The Maropitant citrate, with the CAS registry number 359875-09-5, is also known as (7S,8S)-7-Benzhydryl-N-[(2-methoxy-5-tert-butyl-phenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid; hydrate. This chemical's molecular formula is C38H50N2O9 and molecular weight is 678.81. What's more, its systematic name is (2S,3S)-2-(Diphenylmethyl)-N-[2-methoxy-5-(2-methyl-2-propanyl)benzyl]quinuclidin-3-amine 2-hydroxy-1,2,3-propanetricarboxylate hydrate (1:1:1). Its classification code is Anti-emetic.
Physical properties of Maropitant citrate are: (1)ACD/LogP: 7.764; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 15.71 Å2; (7)Flash Point: 300.1 °C; (8)Enthalpy of Vaporization: 85.83 kJ/mol; (9)Boiling Point: 572.6 °C at 760 mmHg; (10)Vapour Pressure: 4.05E-13 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It is irritating to eyes, respiratory system and skin. It has a risk of serious damage to eyes and may cause sensitisation by inhalation and skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)(CC(=O)O)CC(=O)O.O.O(c1ccc(cc1CN[C@@H]2[C@@H](N3CCC2CC3)C(c4ccccc4)c5ccccc5)C(C)(C)C)C
(2)Std. InChI: InChI=1S/C32H40N2O.C6H8O7.H2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24;7-3(8)1-6(13,5(11)12)2-4(9)10;/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/t30-,31-;;/m0../s1
(3)Std. InChIKey: PGVSXRHFXJOMGW-YBZGWEFGSA-N