Basic information
- CAS
1421-14-3- Standard SMILES
CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1- InChIKey
KEJXLQUPYHWCNM-UHFFFAOYSA-N- Molecular formula
- C18H27NO5
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.18892296
Names & identifiers
- Preferred name
- Propanidid
- IUPAC
- propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate
- English name
- propyl 4-diethylcarbamoylmethoxy-3-methoxyphenylacetate
- Molecular formula
- C18H27NO5
- Molecular weight
- 337.41
Names & synonyms
Propanidid1421-14-3EpontolPropanidideBayer 1420TH-2180FBA 1420PropanididumWH 5668DTXSID7048825BAYER-1420FBA-1420
Show more names
BAY-1420FabantolFabontalSombrevin
Benzeneacetic acid, 4-[2-(diethylamino)-2-oxoethoxy]-3-methoxy-, propyl esterWH-5668AO82L471NSBenzeneacetic acid, 4-(2-(diethylamino)-2-oxoethoxy)-3-methoxy-, propyl esterDTXCID4028751RefChem:389239N01AX04propyl 2-(4-((diethylcarbamoyl)methoxy)-3-methoxyphenyl)acetate
Database identifiers
- CAS
1421-14-3- PubChem CID
- 15004
- DTXSID
DTXSID7048825- ChEMBL
CHEMBL2105345- ChEBI
CHEBI:135432- UNII
- AO82L471NS
- EC Number
- 215-822-7
- Nikkaji
- J7.486A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 384
Experimental & physicochemical properties
Kovats Retention Index2443；2420；2450；2433
Physicochemical properties
- Boiling point
- 0.7 · bp0.7 210-212°
- Density
- 1.2043 · 1.2043 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Pale Yellow to Yellow
- FDA UNII
- 82 L471NS · AO82L471NS
- ATC code
- 1 AX04 · N01AX04
- EPA Substance Registry System
- Propanidid (1421-14-3)
- Toxicity
- 50 orally · LD50 orally in rats: >10,000 mg/kg (Goldenthal)
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 rats: >10,000 mg/kg (Goldenthal)
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system；N01 - Anesthetics；N01A - Anesthetics, general；N01AX - Other general anesthetics；N01AX04 - Propanidid
QN - Nervous system；QN01 - Anesthetics；QN01A - Anesthetics, general；QN01AX - Other general anesthetics；QN01AX04 - Propanidid
MeSH Pharmacological Classification
Ultrashort-acting anesthetics that are used for induction. Loss of consciousness is rapid and induction is pleasant, but there is no muscle relaxation and reflexes frequently are not reduced adequately. Repeated administration results in accumulation and prolongs the recovery time. Since these agents have little if any analgesic activity, they are seldom used alone except in brief minor procedures. (From AMA Drug Evaluations Annual, 1994, p174)
Applications
UsesAnesthetic (intravenous).
UsesSombrevin, is an ultra short-acting phenylacetate general anesthetic.
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海博路生物科技有限公司13062875887 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Related reactions
4 records
Compound notes
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