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Ajmalicine hydrochloride

Ajmalicine hydrochloride structure

CAS No:
4373-34-6
Formula:
C21H24N2O3.ClH
Chemical Name:
Ajmalicine hydrochloride
Synonyms:
4H-Indolo[2,3-a]pyrano[3,4-g]quinolizine-1-carboxylic acid,4a,5,7,8,13,13b,14,14a-octahydro-4-methyl-,methyl ester,hydrochloride (1:1),(4S,4aR,13bS,14aS)-;Ajmalicine,monohydrochloride;Oxayohimban-16-carboxylic acid,16,17-didehydro-19-methyl-,methyl ester,monohydrochloride,(19α)-;δ-Yohimbine,hydrochloride;Ajmalicine hydrochloride;Raubasine hydrochloride
Categories:
Active Pharmaceutical Ingredients > Nervous System Drugs

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Ajmalicine hydrochloride Basic Attributes

Molecular Weight：

388.89

Exact Mass：

352.178680

EC Number：

224-471-9

UNII：

I0V9KZN41X

Characteristics

PSA：

54.56000

XLogP3：

2.88

Density：

1.3±0.1 g/cm3

Melting Point：

287 °C

Boiling Point：

524.0±50.0 °C at 760 mmHg

Flash Point：

270.7±30.1 °C

Refractive Index：

1.656

Toxicity：

Oral-mouse LDL0: 50 mg/kg; intravenous-mouse LD50: 56 mg/kg

Flammability characteristics：

Flammable; burning releases toxic nitrogen oxides and hydrogen chloride fumes

Safety Information

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-36

RTECS Number：

AX7890000

Marks：

Storage features：

Treasury is ventilated at low temperature and dry; stored separately from oxidants and food additives

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH：

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

MeSH Entry Terms：

19-epiajmalicine

Computed Properties

Molecular Weight:388.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:388.1553704
Monoisotopic Mass:388.1553704
Topological Polar Surface Area:54.6
Heavy Atom Count:27
Complexity:606
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes