Warfarin
PubChem CID: 54678486
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | warfarin, 81-81-2, Coumadin, Coumafene, Zoocoumarin, Coumafen, Warfarine, Brumolin, Coumefene, Kypfarin, Solfarin, Dethmor, Dethnel, Kumader, Kumadu, Maveran, Rosex, Athrombine-K, Frass-Ratron, Vampirinip II, Coumarins, Mar-Frin, Panwarfin, Rattentraenke, Rodafarin, Ratorex, Rattunal, Warfarat, Ratron, Temus W, Vampirinip iii, Prothromadin, Rats-no-more, Tox-hid, Rat-Gard, Rat-Kill, Rat-Trol, Ratten-Koederrohr, Coumaphene, Rat-Mix, Rat-Ola, Ro-Deth, Rat-a-way, Ratoxin, Rat & mice bait, Warfarin plus, Rat-B-gon, Maag Rattentod Cum, Rodex blox, Liqua-tox, Mouse pak, D-Con, Warfarin Q, CO-Rax, Dicusat E, Fasco fascrat powder, Twin light rat away, Ratron G, Eastern states duocide, Martin's mar-frin, Compound 42, rac-Warfarin, 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one, Place-pax, Rodafarin C, WARF compound 42, Arab Rat Death, Rough & ready mouse mix, Latka 42, Coumaphen, Warf 42, Warfarina, 200 coumarin, Cov-R-Tox, Spray-trol brand roden-trol, Rattenstreupulver Neu Schacht, Arab rat deth, Rat-o-cide #2, Warfarinum, Warficide, Sorexa plus, 2-hydroxy-3-(3-oxo-1-phenylbutyl)-4h-chromen-4-one, Rattenstreupulver new schacht, 4-Hydroxy-3-(3-oxo-1-phenylbutyl)coumarin, W.A.R.F. 42, Rcra waste number P001, 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, Choice, Caswell No. 903, Warfarine [INN-French], Warfarine [ISO-French], Warfarinum [INN-Latin], Warfarina [INN-Spanish], 3-(1'-Phenyl-2'-acetylethyl)-4-hydroxycoumarin, Warfarin plus [discontinued], Athrombin-K, Sakarat, Sewarin, 4-Hydroxy-3-(3-oxo-1-fenyl-butyl) cumarine, 4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-cumarin, HSDB 1786, 3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin, UNII-5Q7ZVV76EI, 1-(4'-Hydroxy-3'-coumarinyl)-1-phenyl-3-butanone, Zoocoumarin [Netherlands and USSR], 951658-59-6, EINECS 201-377-6, RAX, 5Q7ZVV76EI, Rat and mice bait, 4-Idrossi-3-(3-oxo-1-fenil-butil)-cumarine, NSC 59813, NSC-59813, (RS)-Warfarin, Warfarin (INN), DL-3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin, EPA Pesticide Chemical Code 086002, Waran, BRN 1293536, (Phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarine, 4OH-Coumarin deriv., DTXSID5023742, 3-(alpha-Phenyl-beta-acetylethyl)-4-hydroxycoumarin, Rat-o-cide No. 2, NSC59813, Coumarin, 3-(alpha-acetonylbenzyl)-4-hydroxy-, Rough and ready mouse mix, 3-(Acetonylbenzyl)-4-hydroxycoumarin, 3-(alpha-Phenyl-beta-acetylaethyl)-4-hydroxycumarin, CHEMBL1464, DTXCID703742, 3-(.alpha.-Acetonylbenzyl)-4-hydroxycoumarin, 4-Idrossi-3-(3-oxo-)-fenil-butil)-cumarine, CHEBI:87732, EC 201-377-6, 5-18-04-00162 (Beilstein Handbook Reference), Coumafene [French], NCGC00094810-01, WARFARIN [INN], Warfarine (INN-French), Warfarine (ISO-French), Warfarinum (INN-Latin), Zoocoumarin [Russian], Latka 42 [Czech], Warfarina (INN-Spanish), Warfarin [INN:BAN], WARFARIN (USP-RS), WARFARIN [USP-RS], (Phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarin, Coumarin, 3-(.alpha.-acetonylbenzyl)-4-hydroxy-, Warfarin plus (discontinued), Warfarin, analytical standard, 3-(.alpha.-Phenyl-.beta.-acetylethyl)-4-hydroxycoumarin, 4-HYDROXY-3-((1RS)-3-OXO-1-PHENYLBUTYL)COUMARIN, Warfarin [BSI:ISO], Zoocoumarin (Netherlands and USSR), (+/-)-4-HYDROXY-3-(3-OXO-1-PHENYLBUTYL)-2H-1-BENZOPYRAN-2-ONE, CAS-81-81-2, (R)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one, (S)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one, Warfarin [ISO], Choice (TN), Warf 10, SR-01000195154, NCGC00094810-04, RCRA waste no. P001, 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one, CBKinase1_000192, CBKinase1_012592, wafarin, delta-con, racemic warfarin, Athrombine K, DL-warfarin, Rat-alpha-way, Rat-beta-gon, Killgerm sewarin p, 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one, R-(+)-3-Acetonybenzyl)-4-hydroxycoumarin, 4-Hydroxy-3-(3-oxo-1-fenyl-butyl) cumarine [Dutch], 4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-cumarin [German], (+/-)-warfarin, 4-Idrossi-3-(3-oxo-1-fenil-butil)-cumarine [Italian], Warfarin - 90%, MOUSE-PAK, Rattentraenke (German), Spectrum_000194, Warf-12, (Phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarine [French], 3-(alpha-Phenyl-beta-acetylaethyl)-4-hydroxycumarin [German], WARFARIN [HSDB], WARFARIN [MI], WARF-42, Athrombine-K, WARFARIN [VANDF], (.+/-.)-Warfarin, Spectrum2_000935, Spectrum3_000583, Spectrum4_000381, Spectrum5_001751, RODEX, RODEX BLOX, VAMPIRINIP II& III, WARFARIN [WHO-DD], Ratten-Koederrohr (German), SCHEMBL3689, CHEMBL7252, BSPBio_002026, CBDivE_002127, CBDivE_013236, KBioGR_000901, KBioSS_000674, MLS001304042, DivK1c_000444, SCHEMBL136434, SPECTRUM1500613, SPBio_000870, GTPL6853, (+-)-WARFARIN-ALCOHOL, CHEBI:10033, HMS501G06, KBio1_000444, KBio2_000674, KBio2_003242, KBio2_005810, KBio3_001526, B01AA03, NINDS_000444, QTXVAVXCBMYBJW-UHFFFAOYSA-N, Warfarin, 1mg/ml in Acetonitrile, HMS1921K07, HMS2092C20, HMS2233L10, HMS3372L19, HMS3648B15, HMS3714G21, Pharmakon1600-01500613, HY-B0687, Tox21_113185, Tox21_202182, Tox21_300531, Warfarin 1.0 mg/ml in Acetonitrile, BBL027615, BDBM50343352, CCG-39672, MFCD00272376, NSC757385, s4545, STK364490, WLN: T66 BOVJ DYR&1V1 EQ, AKOS005430103, AKOS026749956, DB00682, FW01354, NSC-757385, Rattenstreupulver Neu Schacht (German), SB48255, SB48256, IDI1_000444, SMP1_000316, USEPA/OPP Pesticide Code: 086002, Warfarin 100 microg/mL in Acetonitrile, NCGC00094810-02, NCGC00094810-03, NCGC00094810-05, NCGC00094810-06, NCGC00159398-03, NCGC00178855-01, NCGC00188986-01, NCGC00188986-02, NCGC00254457-01, NCGC00259731-01, AC-15978, SMR000718754, (3-(a-Acetonylbenzyl)-4-hydroxycoumarin), SBI-0051556.P002, DB-052729, DB-052730, DB-330360, DL-3-(a-Acetonylbenzyl)-4-hydroxycoumarin, 3-(alpha-Acetonyl)-benzyl-4-hydroxycoumarin, 3-(alpha-Acetonylbenzene)-4-hydroxycoumarin, NS00010884, Warfarin, PESTANAL(R), analytical standard, EN300-51918, 4-Hydroxy-3- (3-oxo-1-fenyl-butyl) cumarine, 4-Hydroxy-3- (3-oxo-1-phenyl-butyl)-cumarin, 4-Idrossi-3- (3-oxo-)-fenil-butil)-cumarine, C01541, Coumarin, 4-hydroxy-3-(1-phenyl-3-oxobutyl), D08682, H10432, AB00052125_02, AB00876255-06, (RS)-4-hydroxy-3-(3-oxo-1-phenylbutyl)coumarin, 3-alpha-phenyl-beta-acetylethyl-4-hydroxycoumarin, Q407431, 4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one, 4-hydroxy-3-(3-oxo-1-phenyl-butyl)chromen-2-one, SR-01000195154-3, SR-01000195154-4, BRD-A24514565-001-02-2, BRD-A24514565-001-09-7, BRD-A24514565-236-01-6, COUMARIN, 3-(ALPHA-ACETONYLBENZYL)-4-HYDROXY, COUMARIN,3-(ALPHA-ACETONYLBENZYL)-4-HYDROXY-, SR-01000195154-10, 3-(.alpha.-Phenyl-.beta.-acetylaethyl)-4-hydroxycumarin, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one, COUMARIN, 4-HYDROXY-3(1-PHENYL-3-OXO-BUTYL)-, Warfarin, British Pharmacopoeia (BP) Reference Standard, Z732250592, 4-(4-hydroxy-2-oxo-2H-3-chromenyl)-4-phenyl-2-butanone, 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one #, Warfarin4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one, 4-hydroxy-3-(3-oxo-1-phenyl butyl)-2h-1-benzopyran-2-one, rac-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one, Warfarin, United States Pharmacopeia (USP) Reference Standard, 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(3-OXO-1-PHENYLBUTYL), 4-HYDROXY-3(3-OXO-1-PHENYLBUTYL)-2H-1-BENZOPYRAN-2-ONE, R-(+)-4-Hydroxy-3-(3-oxo-1-phenybutyl)-2H-1-benzopyran-2-one, 2HK-1-BENZOPYTAN-2-ONE,4-HYDROXY-3-(3-OXO-1-PHENYL BUTYL)-, 201-377-6 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 501.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02768, P11712, P07477, P17538, Q72874, Q92887, O15245, Q99714, B2RXH2, P00352, O97447, P00811, n.a., P02770, Q16549, P10828, P37231, P04637, O94956, Q9NPD5, Q9Y6L6, Q03431, P20813, P10632, P33261, P10635, P08684, P05177, O95342, Q9BQB6, P0DTD1 |
| Iupac Name | 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one |
| Prediction Hob | 1.0 |
| Target Id | NPT212, NPT149, NPT48, NPT94, NPT620, NPT713 |
| Xlogp | 2.7 |
| Molecular Formula | C19H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PJVWKTKQMONHTI-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.624 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.654 |
| Compound Name | Warfarin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 308.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.388447208695653 |
| Inchi | InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 |
| Smiles | CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arachniodes Exilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all