Basic information
- CAS
106469-52-7- Standard SMILES
CC1(NC(=O)CBr)CCC(C(C)(C)NCC(O)COc2cccc3[nH]ccc23)CC1- InChIKey
XSAGAZCYTLNCEN-UHFFFAOYSA-N- Molecular formula
- C23H34BrN3O3
- Average molar mass
- 480.4 g/mol
- Monoisotopic mass
- 479.17835
Names & identifiers
- Preferred name
- 2-Bromo-N-(4-(1-((2-hydroxy-3-(1H-indol-4-yloxy)propyl)amino)-1-methylethyl)-1-methylcyclohexyl)acetamide
- IUPAC
- 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide
- English name
- (+/-)-PINDOBIND
- Molecular formula
- C23H34BrN3O3
- Molecular weight
- 480.44
Names & synonyms
Pindobind106469-52-7DTXSID809100122-Bromo-N-(4-(1-((2-hydroxy-3-(1H-indol-4-yloxy)propyl)amino)-1-methylethyl)-1-methylcyclohexyl)acetamideRefChem:174308DTXCID1013390692-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamideCHEMBL156628N(1)-(Bromoacetyl)-N(8)-(3-(4-indolyloxy)-2-hydroxypropyl)-(Z)-1,8-diamino-4-menthanePindobind 5-hydroxytryptamine(1A)BDBM50226718PDSP1_001698
Show more names
(+/-)-PINDOBINDPindobind-5HT1A4-[2-Hydroxy-3-[[1-(bromoacetylamino)-p-menthan-8-yl]amino]propoxy]-1H-indoleN1-Bromoacetyl-N8-3′-(4-indolyloxy)-2′-hydroxy-propyl-[Z]-1,8-diamino-p-menthane(±)-Pindobind, N1-Bromoacetyl-N8-3μ-(4-indolyloxy)-2μ-hydroxy-propyl-[Z]-1,8-diamino-p-menthane2-Bromo-N-[4-[1-[[2-hydroxy-3-(1H-indole-4-yloxy)propyl]amino]-1-methylethyl]-1-methylcyclohexyl]acetamideAcetamide, 2-bromo-N-[4-[1-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-1-methylethyl]-1-methylcyclohexyl]-
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
- storage temp.
- 20 °C · −20°C
- solubility
- DMSO: soluble
- form
- solid
- 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
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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