Basic information
- CAS
15687-09-9- Standard SMILES
CCCCOCC(CN1C(=O)N(CC(COCCCC)OC(N)=O)C(=O)C(CC)(c2ccccc2)C1=O)OC(N)=O- InChIKey
GJJRIOLBUILIGK-UHFFFAOYSA-N- Molecular formula
- C28H42N4O9
- Average molar mass
- 578.7 g/mol
- Monoisotopic mass
- 578.29517893
Overview
Difebarbamate is a member of barbiturates.
Names & identifiers
- Preferred name
- Difebarbamate
- IUPAC
- [1-butoxy-3-[3-(3-butoxy-2-carbamoyloxypropyl)-5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]propan-2-yl] carbamate
- English name
- difebarbamate
- Molecular formula
- C28H42N4O9
- Molecular weight
- 578.65
Names & synonyms
Difebarbamate15687-09-9DifebarbamatoDifebarbamatum7EE4K616KK1,3-Bis(3-butoxy-2-hydroxypropyl)-5-ethyl-5-phenylbarbituric acid dicarbamateRefChem:133544239-778-3[1-butoxy-3-[3-(3-butoxy-2-carbamoyloxypropyl)-5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]propan-2-yl] carbamateDifebarbamatAtrium1,3-Bis(3-butoxy-2-hydroxypropyl)-5-ethyl-5-phenylbarbituric acid dicarbamate ester
Show more names
1,3-Bis[2-[(aminocarbonyl)oxy]-3-butoxypropyl]-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(2H,6H)-Pyrimidinetrione, 1,3-bis[2-[(aminocarbonyl)oxy]-3-butoxypropyl]-5-ethyldihydro-5-phenyl-
Difebarbamate [INN:DCF]Difebarbamatum [INN-Latin]UNII-7EE4K616KKDifebarbamato [INN-Spanish]DTXSID00864624GJJRIOLBUILIGK-UHFFFAOYSA-NEINECS 239-778-3DIFEBARBAMATE [INN]
Database identifiers
- CAS
15687-09-9- PubChem CID
- 71880
- DTXSID
DTXSID00864624- ChEMBL
CHEMBL2105563- ChEBI
CHEBI:135839- UNII
- 7EE4K616KK
- EC Number
- 239-778-3
- Nikkaji
- J9.004B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 20
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 838
Physicochemical properties
- FDA UNII
- 7 EE4K616KK · 7EE4K616KK
Chemistry & industry
Suppliers3 total
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Difebarbamate is a member of barbiturates.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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