Basic information
- CAS
17411-19-7- Standard SMILES
Cc1ccc2c(c1)C1CN(C)CCC1N2- InChIKey
CYJQCYXRNNCURD-UHFFFAOYSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Overview
minor descriptor (77-84); on-line & Index Medicus search CARBOLINES (77-84); RN given refers to parent cpd without isomeric designation
Names & identifiers
- Preferred name
- Dicarbine
- IUPAC
- 2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
- English name
- Dicarbine
- Molecular formula
- C13H18N2
- Molecular weight
- 202.3
Names & synonyms
Dicarbine17411-19-7DicarbinaDicarbinumDTXSID0046193Y0EA50IJ3V2,3,4,4a,5,9b-Hexahydro-2,8-dimethyl-1H-pyrido(4,3-b)indoleDTXCID80261931H-Pyrido(4,3-b)indole, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-2,3,4,4a,5,9b-Hexahydro-2,8-dimethyl-1H-pyrido[4,3-b]indole1H-Pyrido[4,3-b]indole, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-RefChem:132989
Show more names
DP 101312,8-Dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indoleDicarbine [INN]2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indoleDicarbinum [INN-Latin]Dicarbina [INN-Spanish]F1176-0001251646-41-0
Database identifiers
- CAS
17411-19-7、75494-88-1- PubChem CID
- 65684
- DTXSID
DTXSID0046193- ChEMBL
CHEMBL2106105、CHEMBL418675- UNII
- Y0EA50IJ3V
- EC Number
- 675-489-2、963-322-9
- Nikkaji
- J9.100F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 305.7 · 305.7±42.0 °C(Predicted)
- Density
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- pka
- 9.58 · 9.58±0.20(Predicted)
- FDA UNII
- 0 EA50IJ3V · Y0EA50IJ3V
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
An agent that causes the production of physical defects in the developing embryo.
Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.
Agents that reduce the frequency or rate of spontaneous or induced mutations independently of the mechanism involved.
Applications
UsesPharmaceutic aid (plasticizer).
Suppliers12 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
3 records
Compound notes
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