Basic information
- CAS
65-19-0- Standard SMILES
COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O.Cl- InChIKey
PIPZGJSEDRMUAW-VJDCAHTMSA-N- Molecular formula
- C21H27ClN2O3
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.1710204
Overview
See also: Yohimbine (has active moiety); Pausinystalia yohimbe bark (annotation moved to); Amberlite CG 400 (annotation moved to).
Names & identifiers
- Preferred name
- Yohimbine Hydrochloride
- IUPAC
- methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
- English name
- Yohimbine hydrochloride
- Molecular formula
- C21H27ClN2O3
- Molecular weight
- 390.9
Names & synonyms
YOHIMBINE HYDROCHLORIDE65-19-0Yohimbine HClProwess plainYobine InjectionNB2E1YP49FHydrochloride, AphrodineHydrochloride, YohimbineNSC-19509DTXSID40891272RefChem:56589DTXCID601030458
Show more names
YOHIMBE HCLYohimbe BarkYohimbine HCICorynante YohimbeYobinolTosanpinYohydrolGyniMbineMenolysin
200-600-4AntagonilAphrodine hydrochlorideYohimbine monohydrochlorideYohimbin HClYohimbine (Hydrochloride)C21H27ClN2O3YOHIMBINE CHLORIDE
Database identifiers
- CAS
65-19-0- PubChem CID
- 6169
- DTXSID
DTXSID40891272- ChEMBL
CHEMBL537669- UNII
- NB2E1YP49F
- EC Number
- 200-600-4
Properties
Computed structural properties
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 555
Experimental & physicochemical properties
Animal DrugsFDA approved animal drugs -> Active ingredient
Collision Cross Section186 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 288 · 288-290 °C (dec.)(lit.)
- alpha
- 99 · 99 º (c=1%, H2O, dry subst)
- refractive index
- 103 ° · 103 ° (C=1, H2O)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 2 O: · H2O: 10 mg/mL
- form
- powder
- color
- white to off-white
- optical activity
- 100 · [α]/D 100±5°, c = 1 in H2O
- Water Solubility
- 2 O: · H2O: 10mg/mL
- Sensitive
- Light Sensitive
- Merck
- 14 · 14,10102
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (86.7%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationYohimbine hydrochloride: HSNO Approval: HSR003820 Approved with controls
Other Safety InformationIMAP assessments - Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, monohydrochloride, (16.alpha.,17.alpha.)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 1 (86.7%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ZG1015000
- ridadr
- UN 1544 6.1/PG 2
- hs_code
- 29339900
- risk_code
- 23/24/25-33-23/24
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics.
Drugs that bind to and block the activation of ADRENERGIC ALPHA-2 RECEPTORS.
Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >10
General Manufacturing InformationYohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, hydrochloride (1:1), (16.alpha.,17.alpha.)-: ACTIVE
Applications
UsesYohimbine hydrochloride is an Indole alkaloid with α2-adrenergic blocking activity. It is an alpha adrenergic blocker, mydriatic, antidepressant that used in the treatment of neurological disorders and erectile dysfunction.
UsesYohimbine hydrochloride is an α2-adrenergic receptor antagonist. It blocks the central α2-adrenegic receptors in the brain, thus preventing and reducing the effects of xylazine, an α2-adrenergic agonist. The sedative effects and respiratory depression that accompany xylazine administration are both antagonized and reversed by yohimbine. Yohimbine hydrochloride also produces an antidiuretic effect, and increases heart rate and blood pressure.
General DescriptionYohimbine hydrochloride is an indole alkaloid derived from the tree bark. It is an antagonist of α2-adrenergic receptors in the brain, reducing the effects of xylazine, which is an α2-adrenergic agonis.
Suppliers100 total
北京华美互利生物化工
Related reactions
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Compound notes
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