Basic information
- CAS
38821-52-2- Standard SMILES
Cl.O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1- InChIKey
AFJSFHAKSSWOKG-UHFFFAOYSA-N- Molecular formula
- C22H26ClN3O
- Average molar mass
- 383.9 g/mol
- Monoisotopic mass
- 383.1764402
Overview
See also: Indoramin (has active moiety).
Names & identifiers
- Preferred name
- Indoramin hydrochloride
- IUPAC
- N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide;hydrochloride
- English name
- Indoramin hydrochloride
- Molecular formula
- C22H26ClN3O
- Molecular weight
- 383.91434
Names & synonyms
INDORAMIN HYDROCHLORIDE38821-52-2Indoramin HClBaratol (pharmaceutical)DTXSID1046504WY-21,901 HClIndoramin hydrochloride [USAN:BAN]EINECS 254-136-2DQ0Z3K8W92Indoramin hydrochloride (USAN)DTXCID9026504N-(1-(2-Indol-3-ylethyl)-4-piperidyl)benzamide monohydrochloride
Show more names
VidoraWypresWydoraBaratolWypresinDoraleseCV539600Vidora-d5Wydora-d5Wypres-d5
N-(1-(2-(1H-Indol-3-yl)ethyl)-4-piperidinyl)benzamide hydrochlorideINDORAMIN HYDROCHLORIDE [MI]Benzamide, N-(1-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)-, monohydrochlorideINDORAMIN HYDROCHLORIDE [USAN]INDORAMIN HYDROCHLORIDE [MART.]INDORAMIN HYDROCHLORIDE [WHO-DD]INDORAMIN HYDROCHLORIDE (MART.)N-[1-(2-Indol-3-ylethyl)-4-piperidyl]benzamide monohydrochloride
Database identifiers
- CAS
38821-52-2
Properties
Computed structural properties
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Melting point
- 230 · 230-232°; mp 258-260°
- solubility
- 24 mg/mL · DMSO: ~24 mg/mL
- form
- solid
- color
- white or off-white
- InChI
- 1S/C22H25N3O.Cl/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21;/h1-9,16,19,23H,10-15H2,(H,24,26);
- InChIKey
- NZEVFUHXTSASST-UHFFFAOYSA-N
- SMILES
- [Cl].O=C(NC1CCN(CC1)CCc2c[nH]c3ccccc23)c4ccccc4
- FDA UNII
- 0 Z3K8W92 · DQ0Z3K8W92
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- CV5396000
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesLabelled Indoramin (I646500). Indoramin is an α1-adrenergic blocking agent with antihypertensive and bronchodilating activity.
UsesIndoramin Hydrochloride is a competitive α-adrenoceptor antagonist; Inhibits cardiovascular responses in a manner characteristic of sympathetic inhibition to blood vessels; Competitive antagonist of noradrenaline; Hypotensive agent.
Suppliers9 total
凯试(上海)科技有限公司021-50135380 · [email protected]
武汉鹏胤药业有限公司13163333255 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [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
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