Carbromal
PubChem CID: 6488
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| Compound Synonyms | CARBROMAL, 77-65-6, Adalin, Diacid, Hoggar, (2-Bromo-2-ethylbutyryl)urea, Bromadal, Bromacetocarbamide, Bromodiethylacetylurea, 2-bromo-N-carbamoyl-2-ethylbutanamide, Addisomnol, Dormiturin, Pianadalin, Planadalin, Fydalin, Karbromal, Kartryl, Nenesin, Parkosed, Pelidorm, Nyctal, Tildin, Uradal, Bromdiethylacetylurea, Mirfudorm, Persomnin, Servadorm, Thalambrol, Somben, Bromodiethylacetylcarbamide, Bromacetocarbamidum, Carbromalum, Bromadel, Butanamide, N-(aminocarbonyl)-2-bromo-2-ethyl-, 1-Bromo-ethyl-butyryl-urea, Carbromalum [INN-Latin], 2-Bromo-2-ethylbutyrylurea, NCI-C03805, Urea, (2-bromo-2-ethylbutyryl)-, CCRIS 124, 2-Brom-2-ethylbutyrylmocovina, NSC 49191, N-(Aminocarbonyl)-2-bromo-2-ethylbutanamide, Adisomnol, HSDB 4100, (2-Brom-2-ethylbutyryl)harnstoff, 2-bromo-2-ethylbutyryurea, EINECS 201-046-6, Carbromal (INN), NSC-49191, UNII-0Y299JY9V3, 2-Brom-2-ethylbutyrylmocovina [Czech], BRN 1775637, Carbromal [INN:BAN:DCF:NF], DTXSID8020252, AI3-51262, Carbrital (Salt/Mix), 0Y299JY9V3, CARBROMAL [INN], CARBROMAL [MI], CARBROMAL [HSDB], CARBROMAL [MART.], CARBROMAL [WHO-DD], DTXCID80252, Urea, (2-bromo-ethylbutyryl)-, .alpha.-Bromo-.alpha.-ethylbutyrylurea, (.alpha.-Bromo-.alpha.-ethylbutyryl)urea, (.alpha.-Ethyl-.alpha.-bromobutyryl)urea, Carbromalum (INN-Latin), Butanamide, N-aminocarbonyl-2-bromo-2-ethyl-, CARBROMAL (MART.), (.alpha.-Bromo-.alpha.-ethylbutyryl)carbamide, Adalin, Adisomnol, Bromacetocarbamide, Bromadal, WLN: ZVMVXE2&2, .alpha.-Ethyl-.alpha.-bromobutyrylurea, alpha-Ethyl-alpha-bromobutyrylurea, (alpha-Bromo-alpha-ethylbutyryl)urea, (alpha-Bromo-alpha-ethylbutyryl)carbamide, Adalin (TN), SCHEMBL261, (2-bromo-2-ethylbutanoyl)urea, CHEMBL1697828, N05CM04, NSC9916, CHEBI:134961, N-(2-Bromo-2-ethylbutanoyl)urea, ALBB-036461, HY-B1594, NSC-9916, NSC49191, (alpha-Ethyl-alpha-bromobutyryl)urea, Tox21_302247, N-(2-Bromo-2-ethylbutanoyl)urea #, AKOS027383909, DB13817, CAS-77-65-6, ALPHA-BROMO-ALPHA-ETHYLBUTYRYLUREA, NCGC00255200-01, (ALPHA-BROMO-ALPHA-ETHYLBUTYRL)UREA, DB-056237, CS-0013511, NS00003897, D02619, Q382185, SR-01000883968, SR-01000883968-1, N-(AMINOCARBONYL)-2-BROMO-2-ETHYL-BUTANAMIDE, 201-046-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 72.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCC=O)NC=O)N))))CC))Br |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organic carbonic acids and derivatives |
| Classyfire Subclass | Ureas |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-bromo-N-carbamoyl-2-ethylbutanamide |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H13BrN2O2 |
| Inchi Key | OPNPQXLQERQBBV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | diacid |
| Esol Class | Very soluble |
| Functional Groups | CBr, CC(=O)NC(N)=O |
| Compound Name | Carbromal |
| Exact Mass | 236.016 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.016 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 237.09 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12) |
| Smiles | CCC(CC)(C(=O)NC(=O)N)Br |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Faradaya Splendida (Plant) Rel Props:Reference:ISBN:9788172360481