3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol dihydrogen (2R,3R)-2,3-dihydroxybutanedioate
Basic information
- CAS
33402-03-8- Standard SMILES
C[C@H](N)[C@H](O)c1cccc(O)c1.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[H+].[H+]- InChIKey
VENXSELNXQXCNT-IJYXXVHRSA-N- Molecular formula
- C13H19NO8
- Average molar mass
- 317.29 g/mol
- Monoisotopic mass
- 317.11106656
Overview
Metaraminol bitartrate is a tartrate salt.
Names & identifiers
- Preferred name
- 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol dihydrogen (2R,3R)-2,3-dihydroxybutanedioate
- IUPAC
- 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;(2R,3R)-2,3-dihydroxybutanedioate;hydron
- English name
- Metaraminol bitartrate
- Molecular formula
- C13H19NO8
- Molecular weight
- 317.29
Names & synonyms
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol dihydrogen (2R,3R)-2,3-dihydroxybutanedioate3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;(2R,3R)-2,3-dihydroxybutanedioate;hydronBitartratearamineBenzenemethanol, a-(1-aminoethyl)-3-hydroxy-, [R-(R*,S*)]-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)D01019Aramine (tn)pressonexbitartratemetraminolbitartrateMetaradrine tartrateMetaraminol bitatrateMetaradrine bitartrate
Database identifiers
- CAS
33402-03-8- PubChem CID
- 24906313
- ChEBI
CHEBI:6795
Properties
Computed structural properties
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 176 · 176-177°
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 0 · DMSO:0.0(Max Conc. mg/mL);0.0(Max Conc. mM)
- form
- A solid
- color
- White to off-white
- Stability
- Toxic
- InChI
- InChI=1S/C9H13NO2.C4H6O6/c1-6(10)9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-6,9,11-12H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9-;1-,2-/m01/s1
- InChIKey
- VENXSELNXQXCNT-IJYXXVHRSA-N
- SMILES
- [C@H](O)(C(=O)O)[C@@H](O)C(=O)O.[C@H](C1C=CC=C(C=1)O)(O)[C@@H](N)C
- CAS DataBase Reference
- 33402 · 33402-03-8(CAS DataBase Reference)
- FDA UNII
- 4202 M9P3 · ZC4202M9P3
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- DN5160000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2939800000
- risk_code
- 23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-28-36/37/39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301+H311+H331
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
- Precautionary statements
- P261-P280-P301+P330+P331+P310-P302+P352+P312-P304+P340+P311-P403+P233
Chemistry & industry
Applications
Usesantiinfective
Suppliers
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Related reactions
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Compound notes
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