(1r,2s)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride
fo-9b887af8a58058d5
Identity
- Type
- MolecularComplex
- CAS
- 50-98-6
- EC
- 200-074-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
20- (-)-Ephedrin hydrochloride
- (-)-Ephedrine hydrochloride
- (1R,2S)-(-)-2-Ephedrinium hydrochloride
- (1R,2S)-(-)-Ephedrine hydrochloride
- (1R,2S)-Ephedrine hydrochloride
- Altusin
- Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, hydrochloride (1:1), (αR)-
- Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, hydrochloride, (αR)-
- Benzenemethanol, α-[1-(methylamino)ethyl]-, hydrochloride, [R-(R*,S*)]-
- Enurace
- Ephedral
- Ephedrine (TN)
- Ephedrine hydrochloride
- Ephedrine, hydrochloride, (-)-
- Ephedrinium chloride
- Ephedronguent
- l-Ephedrine hydrochloride
- L-erythro-Ephedrine hydrochloride
- l-α-[1-(Methylamino)ethyl]benzyl alcohol hydrochloride
- Sanedrine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BALXUFOVQVENIU-GNAZCLTHSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H, InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10-;/m0./s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CN[C@@H](C)[C@H](O)c1ccccc1.Cl |
| IUPAC name chemrof:IUPAC_name | (1R,2S)-2-(methylamino)-1-phenyl-1-propanol;hydrochloride, (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol;hydrochloride, (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride |
| Molecular formula chemrof:molecular_formula | C10H15NO.HCl, C10H16ClNO |
| Molecular mass chemrof:molecular_mass | 201.697 |
| Monoisotopic mass chemrof:monoisotopic_mass | 201.09204, 201.092042 |
| SMILES string chemrof:smiles_string | CNC(C)C(O)c1ccccc1.Cl |
Known URLs
13Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=50-98-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31541 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.068 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1045825 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2146102 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NLJ6390P1Z | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D01386 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/D01386 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C75031 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL2146102 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/65326 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/91165 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q27284939 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4e73f533-4706-4a57-a120-84c84a0731d1 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 37e3cdb9-b859-4905-8445-e8e37ab55a6e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 510f2dee-96a8-4810-a9b2-0754f0fe3037 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 3ed3845e-f73c-4618-8a38-891ae8a4c902 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 798759ac-37e9-4c91-974f-3244ac97ecd7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 8e11f854-efa8-43ad-98f4-fa7e65908280 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5c205cc0-b4a5-45cf-9a5a-b8ad0dc5cf95 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| aba2eb32-83bf-40f8-afbb-1f37225c288b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| d8071770-6c98-4425-8e1e-b02a6179f2e9 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fcb1ca70-83be-4702-904e-88ce784f2701 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 42c0a87e-92b4-4a1c-9752-586af2b6a850 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 2e3faaf9-5590-4873-a522-c8b61e879118 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c7bc92ce-4283-4bea-b350-41903e2d5190 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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