Basic information
- CAS
522-87-2- Standard SMILES
O=C(O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O- InChIKey
AADVZSXPNRLYLV-GKMXPDSGSA-N- Molecular formula
- C20H24N2O3
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.17869263
Overview
Yohimbic acid is a yohimban alkaloid. It is functionally related to a 17alpha-yohimbol.
Names & identifiers
- Preferred name
- Yohimbic Acid
- IUPAC
- (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
- English name
- Yohimbinic acid monohydrate
- Molecular formula
- C20H24N2O3
- Molecular weight
- 340.42
Names & synonyms
Yohimbic Acid522-87-2Yohimbinic acidYohimbinsaeureAcido yohimbicoAcide yohimbique17alpha-Hydroxyyohimban-16alpha-carboxylic acidYohimbic acid [INN]NSC-9509635FAV1EVEG(1R,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acidCHEMBL148824
Show more names
YOHIMBIC ACID HYDRATEYohimbicyohimbine acidYOHIMBIC ACID(RG)YOHIMBIC ACID MONOHYDRATEYohimbinic acid monohydrate17α-Hydroxyyohimban-16α-carboxylic acidYohimban-16-carboxylic acid, 17-hydroxy-, (16α,17α)-
NSC95096(1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acidMLS002153893Acidum yohimbicumSMR001233242UNII-35FAV1EVEGYohimbineacidAcide yohimbique [INN-French]
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 541
Experimental & physicochemical properties
Collision Cross Section181.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 267 · 267-268 °C (dec.)(lit.)
- Boiling point
- 600 · 600.0±50.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 4.19 · 4.19±0.40(Predicted)
- form
- Solid
- color
- White to off-white
- LogP
- 1.94 · 1.940 (est)
- FDA UNII
- 35 FAV1EVEG · 35FAV1EVEG
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
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
H301 (100%): Toxic 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1544 6.1/PG 3
- risk_code
- 23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-28-36/37/39-45
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
Chemistry & industry
Applications
UsesYohimbic acid is an amphoteric demethylated derivative of Yohimbine. Yohimbic acid exhibits vasodilatory action. Yohimbic acid also can be used for the research of osteoarthritis (OA)[1][2][3].
Suppliers32 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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