Secobarbital
PubChem CID: 5193
Connections displayed (default: 10).
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| Compound Synonyms | secobarbital, Quinalbarbitone, Secobarbitone, Seconal, Meballymal, Quinalbarbital, Evronal, Hypotrol, 76-73-3, Immenox, Meballymalum, Secobarbitalum, Somosal, (+-)-Secobarbital, Somatarax, Barbosec, Secobarbitale [DCIT], Secobarbitalum [INN-Latin], 5-ALLYL-5-(1-METHYLBUTYL)BARBITURIC ACID, Secobarbital cii, (RS)-Secobarbital, Seconal (TN), 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, 5-Allyl-5-(1-methylbutyl)barbiturate, 5-Allyl-5-(1-methylbutyl)malonylurea, Barbituric acid, 5-allyl-5-(1-methylbutyl)-, HSDB 3182, Secobarbital [USP:INN], 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, EINECS 200-982-2, BRN 0225330, CHEBI:9073, (+/-)-Secobarbital, 1P7H87IN75, SECOBARBITAL [INN], 5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, SECOBARBITAL [HSDB], SECOBARBITAL [VANDF], Secobarbital sodium free acid, SECOBARBITAL [MART.], SECOBARBITAL [USP-RS], SECOBARBITAL [WHO-DD], DTXSID6044145, 5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione, SECOBARBITAL [USP IMPURITY], 5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-24-09-00235 (Beilstein Handbook Reference), 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)-, DEA No. 2315, Secobarbitale, Hyptran, SECOBARBITAL SODIUM FREE ACID [MI], Secobarbital (USP:INN), 5-(1-Methylbutyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione, Sodium quinalbarbitone, Secobarbitalum (INN-Latin), 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (+-)-, SECOBARBITAL (MART.), SECOBARBITAL (USP-RS), SECOBARBITAL (USP IMPURITY), 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione, Secobarbital (1.0mg/ml in Methanol), Secobarbital (1mg/ml in Acetonitrile), (+/-)-Quinalbarbitone, Secobarbital suppository dosage form, Secobarbital (USP/INN), (+-)-5-Allyl-5-(1-methylbutyl)-barbituric acid, UNII-1P7H87IN75, NCGC00247712-01, secobarbital-natrium, Hyptran (Salt/Mix), Imesonal (Salt/Mix), Trisomnin (Salt/Mix), Immenoctal (Salt/Mix), BARBITURIC ACID, 5-ALLYL-5-(1-METHYLBUTYL)-, (+-)-, CHEMBL447, (.+/-.))-Secobarbital, SCHEMBL80734, GTPL7615, DTXCID4024145, SCHEMBL11110602, Secobarbital, analytical standard, N05CA06, Secobarbital, 1mg/ml in Methanol, VFA24397, Secobarbital 0.1 mg/ml in Methanol, Secobarbital 1.0 mg/ml in Methanol, DB00418, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (+-)-(9CI), NS00010411, S0223, D00430, Q414788, Secobarbital suppository dosage form [DEA No. 2316], pyrimidine-2,4,6(1H,3H,5H)-trione, 5-allyl-5-(1-methylbutyl)-, Secobarbital, United States Pharmacopeia (USP) Reference Standard, 2,4,6(1H,3H,5H)-Pyrimidinitrione, 5-(1-methylbutyl)-5-(2-propenyl)-, 5-(1-Methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinitrione, 200-982-2 |
|---|---|
| Topological Polar Surface Area | 75.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NY46, n.a., P14780 |
| Iupac Name | 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione |
| Prediction Hob | 1.0 |
| Target Id | NPT280 |
| Xlogp | 2.0 |
| Molecular Formula | C12H18N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KQPKPCNLIDLUMF-UHFFFAOYSA-N |
| Fcsp3 | 0.5833333333333334 |
| Logs | -2.756 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.614 |
| Compound Name | Secobarbital |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.132 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 238.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7891793999999996 |
| Inchi | InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17) |
| Smiles | CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Paederia Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all