Ethylnorepinephrine Hydrochloride
Basic information
- CAS
3198-07-0- Standard SMILES
CCC(N)C(O)c1ccc(O)c(O)c1.Cl- InChIKey
NZDMRJGAFPUTMZ-UHFFFAOYSA-N- Molecular formula
- C10H16ClNO3
- Average molar mass
- 233.69 g/mol
- Monoisotopic mass
- 233.0818711
Overview
See also: Ethylnorepinephrine (has active moiety).
Names & identifiers
- Preferred name
- Ethylnorepinephrine Hydrochloride
- IUPAC
- 4-(2-amino-1-hydroxybutyl)benzene-1,2-diol;hydrochloride
- English name
- ETHYLNOREPINEPHRINE HYDROCHLORIDE (200 MG)
- Molecular formula
- C10H16ClNO3
- Molecular weight
- 233.69194
Names & synonyms
Ethylnorepinephrine hydrochlorideEthylnorepinephrine HClEthylnoradrenaline hydrochlorideX94OZJ468Y3422-29-5RefChem:921320Bronkephrine3198-07-0Ethylnorepinephrine (hydrochloride)a-Ethyl Norepinephrine Hydrochloride(Mixture of Diastereomers)alpha-Ethyl Norepinephrine Hydrochloride (Mixture of Diastereomers)3198-07-0(HCl salt)
Show more names
butanefrinehydrochlorideButanephrine HydrochlorideNoradrenaline Impurity 16Norepinephrine Impurity 5 HClethylnoradrenalinehydrochlorideethylnorsuprareninhydrochlorideethylnorepinephrinehydrochloridea-Ethyl Norepinephrine Hydrochlorideα-Ethyl Norepinephrine Hydrochloride
1,2-Benzenediol, 4-(2-amino-1-hydroxybutyl)-, hydrochloride4-(2-amino-1-hydroxybutyl)benzene-1,2-diol hydrochlorideSPECTRUM1504088SCHEMBL75742SCHEMBL521301orb1702287CHEMBL1322824HY-B1105A
Database identifiers
- CAS
3198-07-0- PubChem CID
- 18900
- DTXSID
DTXSID40953869- ChEMBL
CHEMBL1322824- UNII
- X94OZJ468Y
Properties
Computed structural properties
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
Collision Cross Section140.9 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 199 · 199-2000C (dec)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- Off-White to Pale Brown
- FDA UNII
- 94 OZJ468Y · X94OZJ468Y
Chemistry & industry
Applications
UsesA bronchodilator.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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