Basic information
- CAS
546-06-5- Standard SMILES
CC1C2CCC3C4CC=C5CC(N(C)C)CCC5(C)C4CCC32CN1C- InChIKey
GPLGAQQQNWMVMM-UHFFFAOYSA-N- Molecular formula
- C24H40N2
- Average molar mass
- 356.6 g/mol
- Monoisotopic mass
- 356.31914928
Overview
conessine has been reported in Holarrhena floribunda and Holarrhena pubescens with data available.
Names & identifiers
- Preferred name
- 3beta-(Dimethylamino)con-5-ene
- IUPAC
- N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
- English name
- CONESSINE
- Molecular formula
- C24H40N2
- Molecular weight
- 356.59
Names & synonyms
N,N-Dimethylcon-5-enin-3-amine3.beta.-(Dimethylamino)con-5-eneNSC347544N,N-pentamethyl[?]amineCon-5-enine, 3.beta.-(dimethylamino)-Conkurchine, N,18-dihydrotrimethyl-NSC 119994Oprea1_048812SCHEMBL12807252DTXSID60859475GPLGAQQQNWMVMM-UHFFFAOYSA-N3-.beta.-(Dimethylamino)con-5-enine
Show more names
NERIINENERVINECONESSINKonessinCONESSINEWRIGHTINEROQUESSINEROGUESSINEConessinum
NSC-347544(3beta)-N,N-dimethyl-con-5-enin-3-amineN,N-Dimethylcon-5-enin-3-amine, (3.beta.)-Con-5-enin-3-amine,N-dimethyl-, (3.beta.)-Con-5-enin-3-amine, N,N-dimethyl-, (3.beta.)-
Database identifiers
- CAS
546-06-5- PubChem CID
- 2860
- DTXSID
DTXSID60859475
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 609
Physicochemical properties
- Melting point
- 126 · 126-127°C
- alpha
- 20 · D20 +25.3° (c = 0.7 in abs alc)
- Boiling point
- 479.38 °C · 479.38°C (rough estimate)
- Density
- 0.9492 · 0.9492 (rough estimate)
- refractive index
- 1.564 · 1.5640 (estimate)
- storage temp.
- Store at RT
- solubility
- 2 mg/mL · ethanol: ≥2mg/mL
- form
- powder
- pka
- 10.2 · 10.20±0.70(Predicted)
- color
- white to tan
- optical activity
- 25.32 · +25.320 (c 0.7, ethanol)
- InChIKey
- GPLGAQQQNWMVMM-MYAJQUOBSA-N
- SMILES
- C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)C
- LogP
- 6.06 · 6.060 (est)
- FDA UNII
- 38 J9BBDF · EZ38J9BBDF
- UNSPSC Code
- 12352103 · 12352103
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
- wgk
- 3
- rtecs
- GK7621000
- hs_code
- 2939799090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionConessine is a naturally occurring steroid alkaloid found in a number of plant species from the Apocynaceae family, which have been used in traditional herbal medicine as a treatment for amoebic dysentery. In a radioligand-based high-throughput screen, conessine demonstrated high affinity for both rat and human histamine H3 receptors (Kis = 5.2 and 24.5 nM, respectively) and high selectivity against histamine receptors H1, H2, and H4. Though conessine potently blocks H3 agonist-stimulated GTPγS binding in cell- and tissue-based functional assays and efficiently crosses the blood-brain barrier, it has a poor rate of CNS clearance.
UsesConessine is a steroidal dibasic alkaloid with a rigid steroid-based skeleton. Conessine is a potent and selective histamine H3 receptor antagonist.
Usesantiamebic, antibacterial, antineoplastic, anesthetic (local)
Suppliers47 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
南宁赛菲尔生物科技有限公司18877121284;15078879878 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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