Basic information
- CAS
185259-85-2- Standard SMILES
COc1ccc(CNC(=O)/C=C/c2ccc3[nH]cc(CCN(C)C)c3c2)cc1- InChIKey
LBVZWEWTNUDWNS-YRNVUSSQSA-N- Molecular formula
- C23H27N3O2
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.21032711
Overview
3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-propenamide is a member of tryptamines.
Names & identifiers
- Preferred name
- GR 46611
- IUPAC
- (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
- English name
- 3-[3-(2-Dimethylaminoethyl)-1H-indol-5-yl]-N-(4-methoxybenzyl)acrylamide
- Molecular formula
- C23H27N3O2
- Molecular weight
- 377.48
Names & synonyms
185259-85-2GR 46611GR46611RefChem:144239633-752-93-[3-(2-Dimethylaminoethyl)-1H-indol-5-yl]-N-(4-methoxybenzyl)acrylamideGR-46611GR 4661(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamideCHEMBL3441273-(3-(2-Dimethylaminoethyl)-1H-indol-5-yl)-N-(4-methoxybenzyl)acrylamide2-Propenamide, 3-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-N-((4-methoxyphenyl)methyl)-
Show more names
GR 46611, 5-HT1B/1D agonist3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide2-Propenamide, 3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]-
3-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-N-((4-methoxyphenyl)methyl)-2-propenamideSR-010000762063-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-propenamideGR46611;GR 46611Lopac0_000069MLS001056583orb1305807SCHEMBL4784832
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Boiling point
- 645.9 · 645.9±55.0 °C(Predicted)
- Density
- 1.168 · 1.168
- storage temp.
- 2 · 2-8°C
- solubility
- 28 mg/mL, · DMSO: 28 mg/mL, soluble
- pka
- 14.51 · 14.51±0.46(Predicted)
- form
- solid
- color
- white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesGR 46611is a 5-HT1D agonist.
Suppliers23 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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