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