3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenol Hydrochloride (1:1)

Type: Molecular complex
CAS: 61-76-7
EC: 200-517-3
Origin: EF 3.1 hybrid_name_cas_v1
Changes: 57 across every transformer

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

(-)-Phenylephrine hydrochloride
(-)-α-Hydroxy-β-(methylamino)ethyl-α-(3-hydroxybenzene)hydrochloride
(R)-3-(1-Hydroxy-2-(methylamino)ethyl)phenol hydrochloride
(R)-Phenylephrine hydrochloride
3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride
Adrianol
Ak-Dilate
Ak-Nefrin
Alcon Efrin
Almefrin
Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride (1:1), (αR)-
Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (R)-
Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (αR)-
Benzyl alcohol, m-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (-)-
Dionephrine
Irifrin
Isophrin
Isophrin hydrochloride
l-1-(m-Hydroxyphenyl)-2-methylaminoethanol hydrochloride
l-m-Hydroxy-α-[(methylamino)methyl]benzyl alcohol hydrochloride
l-Phenylephrine hydrochloride
l-α-Hydroxy-β-methylamino-3-hydroxy-1-ethylbenzene hydrochloride
Levophenylephrine hydrochloride
Lexatol
Maxiclear
Meta-Synephrine hydrochloride
Metaoxedrine chloride
Metaoxedrine hydrochloride
Mydfrin
Neo-Synephrine hydrochloride
Neo-Synesin 1
Neophryn
Neosinesine
Nostril
Oftalfrine
Phenylephrine hydrochloride
Prefrin
Pyracort D
R-(-)-m-Synephrine hydrochloride
R-Phenylephrine hydrochloride
Sucraphen
Synasal

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	OCYSGIYOVXAGKQ-FVGYRXGTSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1
Isomeric SMILES string chemrof:isomeric_smiles_string	CNC[C@H](O)c1cccc(O)c1.Cl
IUPAC name chemrof:IUPAC_name	3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenol Hydrochloride (1:1)
Molecular formula chemrof:molecular_formula	C9H14ClNO2, H.C9H13NO2.Cl
Molecular mass chemrof:molecular_mass	203.669
Monoisotopic mass chemrof:monoisotopic_mass	203.071306, 203.07131
SMILES string chemrof:smiles_string	CNCC(O)c1cccc(O)c1.Cl

Where 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
beilstein	beilstein:4158948	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=61-76-7	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8094	enrich_references.chebi_id_link
DrugBank	https://go.drugbank.com/drugs/DB00388	enrich_references.chebi_xrefs
KEGG	https://www.genome.jp/entry/D00511	enrich_references.chebi_xrefs
patent	patent:US1932347	enrich_references.chebi_xrefs
patent	patent:US1954389	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/657210	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27107758	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Phenylephrine	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
d1ad62ec-5040-4e93-9da1-bfa4e9557863	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
81ca9924-efd0-4b22-bedc-8c41b41d097e	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
76381f3a-5480-4de6-8252-14470985191b	Environmental → Air → Indoor	EF 3.1	kg	2
941d2ba0-8431-4e79-84d6-03cbc312a340	Environmental → Air → Long-term	EF 3.1	kg	0
bb34b209-71b2-4c1d-9bf8-200371762542	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
98583f72-9fa9-48d1-b0ce-30e77c815a43	Environmental → Air → Unknown	EF 3.1	kg	2
f4ff668d-2b43-4619-a048-b96f6a553f64	Environmental → Ground → Agricultural	EF 3.1	kg	2
e566e3dc-d8df-4499-bbab-feb7f36697b9	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
150e926b-cf47-4fba-a68c-1958eb28a6da	Environmental → Ground → Unknown	EF 3.1	kg	2
ae0979e0-473b-4c46-b751-05258de92f69	Environmental → Water → Long-term	EF 3.1	kg	0
7aac23ef-6fea-4a55-9e18-57fb28908493	Environmental → Water → Ocean	EF 3.1	kg	2
5be402a1-f13a-4907-b7b1-2ad9665cbeae	Environmental → Water → Surface water	EF 3.1	kg	2
b776d9f7-a60a-45f2-b1c4-05eb859807aa	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

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      "@value": "Isophrin hydrochloride",
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    },
    {
      "@value": "l-1-(m-Hydroxyphenyl)-2-methylaminoethanol hydrochloride",
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      "@value": "l-m-Hydroxy-α-[(methylamino)methyl]benzyl alcohol hydrochloride",
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      "@value": "l-Phenylephrine hydrochloride",
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    {
      "@value": "l-α-Hydroxy-β-methylamino-3-hydroxy-1-ethylbenzene hydrochloride",
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    {
      "@value": "Maxiclear",
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    },
    {
      "@value": "Metaoxedrine chloride",
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    },
    {
      "@value": "Neophryn",
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      "@value": "Neosinesine",
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      "@value": "Nostril",
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    },
    {
      "@value": "Oftalfrine",
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    {
      "@value": "Phenylephrine hydrochloride",
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3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenol Hydrochloride (1:1)

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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