Basic information
- CAS
106469-51-6- Standard SMILES
CC1(NCC(O)COc2cccc3[nH]ccc23)CCC(C(C)(C)NC(=O)CBr)CC1- InChIKey
KNGWXFIRAISQAP-UHFFFAOYSA-N- Molecular formula
- C23H34BrN3O3
- Average molar mass
- 480.4 g/mol
- Monoisotopic mass
- 479.17835
Overview
structure given in first source
Names & identifiers
- Preferred name
- N(8)-Bromoacetyl-N(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane
- IUPAC
- 2-bromo-N-[2-[4-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-4-methylcyclohexyl]propan-2-yl]acetamide
- English name
- (+/-)PINDOBIND
- Molecular formula
- C23H34BrN3O3
- Molecular weight
- 480.44
Names & synonyms
106469-51-6N8-BimN(8)-Bromoacetyl-N(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthaneRefChem:160789(+/-)-Pindobind2-bromo-N-[2-[4-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-4-methylcyclohexyl]propan-2-yl]acetamideCHEMBL157881N-(2-(4-((3-((1H-Indol-4-yl)oxy)-2-hydroxypropyl)amino)-4-methylcyclohexyl)propan-2-yl)-2-bromoacetamide(+/-)PINDOBINDLopac0_000977DTXSID20910011( inverted question mark)-Pindobind
Show more names
N8-Bromoacetyl-N1-3μ-(4-indolyloxy)-2μ-hydroxy-propyl-(Z)-1,8-diamino-p-menthane2-Bromo-N-[1-[4-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-4-methylcyclohexyl]-1-methylethyl]acetamide2-Bromo-N-(1-(4-((2-Hydroxy-3-(1H-Indol-4-Yloxy)Propyl)Amino)-4- Methyl Cyclohexyl)-1- Methyl Ethyl )- N(8)-Bromo Acetyl-N(1)-3-(4-Indolyloxy)-2-Hydroxypropyl-18-Diamino-4-Menthane
BDBM50226717CCG-205057acetamide,2-bromo-n-[1-[4-[[2-hydroxy-3-(1h-indol-4-yloxy)propyl]amino]-4-methylcyclohexyl]-1-methylethyl]-EU-0100977P-119SR-01000075283SR-01000075283-1N8-Bromoacetyl-N1-3'-(4-indolyloxy)-2'-hydroxy-propyl-[Z]-1,8-diamino-p-methane
Database identifiers
- CAS
106469-51-6- PubChem CID
- 1239
- DTXSID
DTXSID20910011- ChEMBL
CHEMBL157881- Nikkaji
- J227.593G、J441.683J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- Boiling point
- 697.2 · 697.2±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- DMSO: soluble
- form
- solid
- pka
- 13.84 · 13.84±0.46(Predicted)
- color
- white
- 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.
Safety data
- wgk
- 3
Chemistry & industry
Suppliers2 total
HBCChem, Inc.+1-510-219-6317 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…