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Rauwolscine hydrochloride

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Name

Rauwolscine hydrochloride

EINECS 208-977-7
CAS No. 6211-32-1 Density 1.31 g/cm3
PSA 65.56000 LogP 3.38700
Solubility soluble in water Melting Point 270-280 °C
Formula C21H26N2O3.HCl Boiling Point 543 °C at 760 mmHg
Molecular Weight 390.90 Flash Point 282.2 °C
Transport Information UN 1544 6.1/PG 2 Appearance white solid
Safety 22-36/37/39-45 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 6211-32-1 (Rauwolscine hydrochloride) Hazard Symbols ToxicT
Synonyms

20a-Yohimban-16b-carboxylic acid, 17a-hydroxy-, methyl ester,monohydrochloride (8CI);Yohimban-16-carboxylic acid, 17-hydroxy-, methylester, monohydrochloride, (16b,17a,20a)- (9CI);NSC 407307;Yohimban-16-carboxylicacid, 17-hydroxy-, methyl ester, hydrochloride (1:1), (16b,17a,20a)-;a-Yohimbine hydrochloride;Methyl (16β,17α,20α)-17-hydroxyyohimban-16-carboxylate hydrochloride (1:1);

 

Rauwolscine hydrochloride Specification

The Rauwolscine hydrochloride, with the CAS registry number 6211-32-1, is also known as alpha-Yohimbine hydrochloride. It belongs to the product category of Adrenoceptor. Its EINECS number is 228-279-6. This chemical's molecular formula is C21H26N2O3.HCl and molecular weight is 390.90. What's more, its systematic name is Methyl (16β,17α,20α)-17-hydroxyyohimban-16-carboxylate hydrochloride (1:1). It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.

Physical properties of Rauwolscine hydrochloride are: (1)ACD/LogP: 2.201; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 43.7 Å2; (7)Flash Point: 282.2 °C; (8)Enthalpy of Vaporization: 86.43 kJ/mol; (9)Boiling Point: 543 °C at 760 mmHg; (10)Vapour Pressure: 1.27E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. You should not breathe dust. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC)[C@H]5[C@H]4C[C@H]3c2nc1ccccc1c2CCN3C[C@H]4CC[C@@H]5O
(2)Std. InChI: InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15+,17+,18+,19+;/m1./s1
(3)Std. InChIKey: PIPZGJSEDRMUAW-ZKKXXTDSSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo subcutaneous 20mg/kg (20mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: GENERAL ANESTHETIC
"Zur Pharmakologie der Yohimbealkaloide, Dissertation," Langer, J., Institute fuer Pharmakologie und Experimentelle Therapie der Universitat Breslau, Poland, 1932Vol. -, Pg. -, 1932.
frog LD50 parenteral 200mg/kg (200mg/kg)   Bulletin des Sciences Pharmacologiques. Vol. 47, Pg. 33, 1940.
guinea pig LD50 intraperitoneal 162mg/kg (162mg/kg)   Bulletin des Sciences Pharmacologiques. Vol. 47, Pg. 33, 1940.
mouse LDLo oral 125mg/kg (125mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD "Zur Pharmakologie der Yohimbealkaloide, Dissertation," Langer, J., Institute fuer Pharmakologie und Experimentelle Therapie der Universitat Breslau, Poland, 1932Vol. -, Pg. -, 1932.
rabbit LDLo intravenous 2mg/kg (2mg/kg)   "Zur Pharmakologie der Yohimbealkaloide, Dissertation," Langer, J., Institute fuer Pharmakologie und Experimentelle Therapie der Universitat Breslau, Poland, 1932Vol. -, Pg. -, 1932.

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