Basic information
- CAS
157798-12-4- Standard SMILES
CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1- InChIKey
YHSMSRREJYOGQJ-UHFFFAOYSA-N- Molecular formula
- C19H30N2O
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.23581359
Overview
5-nonyloxytryptamine is a tryptamine derivative that consists of serotonin bearing an additional O-nonyl substituent. 5-HT1B selective agonist, several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold). It has a role as a serotonergic agonist. It is a member of tryptamines, an aromatic ether and a primary amino compound. It is functionally related to a serotonin. It is a conjugate base of a 5-nonyloxytryptaminium(1+).
Names & identifiers
- Preferred name
- 5-(Nonyloxy)tryptamine
- IUPAC
- 2-(5-nonoxy-1H-indol-3-yl)ethanamine
- English name
- 5-Nonyloxytryptamine oxalate
- Molecular formula
- C19H30N2O
- Molecular weight
- 302.45
Names & synonyms
5-(Nonyloxy)tryptamine5-Nonyloxytryptamine157798-12-42-(5-nonoxy-1H-indol-3-yl)ethanamine5-(Nonyloxy)-1H-indole-3-ethanamineTV6CHD9VPT1H-Indole-3-ethanamine, 5-(nonyloxy)-DTXSID4058653CHEBI:641492-[5-(nonyloxy)-1H-indol-3-yl]ethanamine2-(5-(nonyloxy)-1H-indol-3-yl)ethanamineRefChem:913221
Show more names
Nonyloxytryptamine oxalate5-Nonyloxytryptamine oxalate5-(Nonyloxy)tryptamine hydrogenoxalate5-(Nonyloxy)-1H-indole-3-ethanamine hydrogen maleate
DTXCID1032305O-nonylserotonin5-(Nonyloxy)-tryptamineCHEMBL974503-(2-aminoethyl)-5-nonyloxyindole1H-Indole-3-ethanamine,5-(nonyloxy)-NCGC00024858-01Tocris-0901
Database identifiers
- CAS
157798-12-4- PubChem CID
- 1797
- DTXSID
DTXSID4058653- ChEMBL
CHEMBL97450
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 469.4 · 469.4±30.0 °C(Predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 16.84 · 16.84±0.30(Predicted)
- FDA UNII
- 6 CHD9VPT · TV6CHD9VPT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-Nonyloxytryptamine Oxalate is a selective 5-HT1B agonist.
UsesNonyloxytryptamine mimics polysialic acid and modulates neuronal and glial functions in cell culture.Nonyloxytryptamine is an agonist for 5-HT1Dβ Serotonin receptor.
Upstream & downstream products
Upstream raw materials
Suppliers14 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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