Basic information
- CAS
149-95-1- Standard SMILES
NC[C@@H](O)c1ccc(O)c(O)c1- InChIKey
SFLSHLFXELFNJZ-MRVPVSSYSA-N- Molecular formula
- C8H11NO3
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.07389321
Overview
(S)-noradrenaline is the S-enantiomer of noradrenaline. It is a conjugate base of a (S)-noradrenaline(1+). It is an enantiomer of a (R)-noradrenaline.
Names & identifiers
- Preferred name
- (+)-Norepinephrine
- IUPAC
- 4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol
- English name
- (S)-4-(2-amino-1-hydroxyethyl)pyrocatechol
- Molecular formula
- C8H11NO3
- Molecular weight
- 169.18
Names & synonyms
149-95-1d-Norepinephrine(s)-norepinephrine(+)-NorepinephrineNorepinephrine, (+)-887AEE91JIDTXSID901316081RefChem:905477DTXCID0017459544-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol(S)-noradrenalineD-noradrenaline
Show more names
-L-NoradrenalineHClNorepinephrine Impurity 46Norepinephrine Impurity 36 Monomer(R)-2-amino-1-(4-nitrophenyl)ethan-1-ol(+)-4-[(S)-2-Amino-1-hydroxyethyl]pyrocatechol
(S)-4-(2-Amino-1-hydroxyethyl)pyrocatechold-Arterenol(+)-Noradrenaline4-((1S)-2-amino-1-hydroxyethyl)benzene-1,2-diolUNII-887AEE91JIEINECS 205-750-4CHEMBL18824S-(+)-NOREPINEPHRINE
Database identifiers
- CAS
149-95-1- PubChem CID
- 5814
- DTXSID
DTXSID901316081- ChEBI
CHEBI:33571- UNII
- 887AEE91JI
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 216 °C · 216°C (rough estimate)
- Boiling point
- 298.46 °C · 298.46°C (rough estimate)
- Density
- 1.2435 · 1.2435 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- form
- Solid
- pka
- 9.57 · 9.57±0.10(Predicted)
- FDA UNII
- 887 AEE91JI · 887AEE91JI
- Toxicity
- 50 ivn-rat: · LD50 ivn-rat: 1400 mg/kg JPETAB 95,502,49
Safety & regulation
Safety data
- Toxicity
- LD50 ivn-rat: 1400 mg/kg JPETAB 95,502,49
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that selectively bind to and activate alpha adrenergic receptors.
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Drugs used to cause constriction of the blood vessels.
Suppliers19 total
云南苏理生物医药科技有限公司0871-68355600 18787766125
仙桃市丽昭医药科技有限公司18571672902 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
Related reactions
5 records
Compound notes
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