Basic information
- CAS
84-36-6- Standard SMILES
CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@H](C(=O)OC)[C@H]2OC)cc1OC- InChIKey
ZCDNRPPFBQDQHR-SSYATKPKSA-N- Molecular formula
- C35H42N2O11
- Average molar mass
- 666.7 g/mol
- Monoisotopic mass
- 666.27886016
Overview
Syrosingopine is a yohimban alkaloid.
Names & identifiers
- Preferred name
- Syrosingopine
- IUPAC
- methyl (1R,15S,17R,18R,19S,20S)-17-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- English name
- SYROSINGOPINE
- Molecular formula
- C35H42N2O11
- Molecular weight
- 666.72
Names & synonyms
syrosingopine84-36-6NeoreserpanSyringopineSiringinaIsotenseLondominCarbethoxysyringoyl methylreserpateSU 3118SirosingopinaMethyl carbethoxysyringoyl reserpateSyrosingopinum
Show more names
HF-41TIporessu3118IsotensRaunovaarbonateEtropres
DTXSID9023629NSC-77030PPG46JF0EGSU-3118DTXCID703629Yohimban-16-carboxylic acid, 18-((4-((ethoxycabonyl)oxy)-3,5-dimethoxybenzoyl)oxy)-11,17-dimethoxy-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-RefChem:932470201-527-0
Database identifiers
- CAS
84-36-6- PubChem CID
- 6769
- DTXSID
DTXSID9023629- ChEMBL
CHEMBL1399124- ChEBI
CHEBI:32175- UNII
- PPG46JF0EG
- EC Number
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- Melting point
- 175 °C · 175°C
- Boiling point
- 686.09 °C · 686.09°C (rough estimate)
- Density
- 1.2536 · 1.2536 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 18.11 · 18.11±0.70(Predicted)
- form
- Solid
- color
- Beige
- LogP
- 3.51 · 3.510 (est)
- CAS DataBase Reference
- 84 · 84-36-6(CAS DataBase Reference)
- FDA UNII
- 46 JF0EG · PPG46JF0EG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 1544
- Toxicity
- LD50 oral in rat: > 2gm/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesSyrosingopine (CAS# 84-36-6) is a pharmaceutical used to treat hypertension.
UsesMedicine.
Upstream & downstream products
Upstream raw materials
Suppliers85 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…