Basic information
- CAS
94-35-9- Standard SMILES
NC(=O)OCC(O)c1ccccc1- InChIKey
OCSOHUROTFFTFO-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Overview
Styramate is a member of benzenes.
Names & identifiers
- Preferred name
- Styramate
- IUPAC
- (2-hydroxy-2-phenylethyl) carbamate
- English name
- styramate
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
StyramateSinaxar2-Hydroxy-2-phenylethyl carbamateLinaxarMyospazStiramatoStyramatEstiramatoStyramatum1,2-ETHANEDIOL, 1-PHENYL-, 2-CARBAMATE2-Phenyl-2-hydroxyethyl carbamateStyramate [INN:BAN]
Show more names
AL-1076(2-hydroxy-2-phenylethyl) carbamate(2-hydroxy-2-phenyl-ethyl) carbamate
beta-Hydroxyphenethyl carbamateStyramatum [INN-Latin]1-Phenyl-1,2-ethanediol 2-carbamateAL 1076Estiramato [INN-Spanish].beta.-Hydroxyphenethyl carbamatebeta-Hydroxyphenethyl carbamatNSC 115889
Database identifiers
- CAS
94-35-9- PubChem CID
- 7186
- DTXSID
DTXSID40861692- ChEMBL
CHEMBL2104534- ChEBI
CHEBI:134820- UNII
- CBK7Y28SP3
- EC Number
- 202-326-0
- Nikkaji
- J34.800G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 111 · 111-112°
- Boiling point
- 314.29 °C · 314.29°C (rough estimate)
- Density
- 1.2375 · 1.2375 (rough estimate)
- refractive index
- 1.527 · 1.5270 (estimate)
- pka
- 13.17 · 13.17±0.20(Predicted)
- FDA UNII
- 7 Y28SP3 · CBK7Y28SP3
- ATC code
- 3 BA04 · M03BA04
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 orally · LD50 orally in mice: 1240 mg/kg (De Salva)
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
- Toxicity
- LD50 orally in mice: 1240 mg/kg (De Salva)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
Applications
UsesStyramate is an active compound.
Suppliers5 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Styramate is a member of benzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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