UCSF

ZINC03876000

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 26 No

Popular Name: Acenocoumarol Acenocoumarol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 152-72-7 , 66556-77-2 , [152-72-7]

Other Names:

(R)-(+)-Acenocoumarol

(R)-acenocoumarol

(S)-Acenocoumarol

arol

152-72-7

152-72-7; Acenocoumarin; Acenocoumarol (INN); D07064; Mini-sintrom (TN)

152-72-7; Acenocoumarol; Prestwick_773

2-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-4h-chromen-4-one

2-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-4-one

2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-

2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-, (+-)-

2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-; 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin; 3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin; 3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin; 3-(alpha-A

2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-

3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin

3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin; 3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin; 3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin; 3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin; 3-(alpha-p-Nitrophenyl-bet

3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin

3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin

3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin

3-(alpha-Acetonyl-para-nitrobenzyl)-4-hydroxy-coumarin

3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin

4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one

4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one

70897-81-3

AB-014/25000129

AB00513804

AC1L1S7P

AC1Q1Z5F

Acenocoumarin

Acenocoumarin;Acenocoumarolum [INN-latin];Nicoumalone;Nicumalon;Nitrophenylacetylethyl-4-hydroxycoumarine;Nitrovarfarian;Nitrowarfarin

Acenocoumarol (INN

Acenocoumarol (INN)

Acenocoumarol (MI

Acenocoumarol Alliance Brand

Acenocoumarol Ciba-Geigy Brand

Acenocoumarol Novartis Brand

Acenocoumarol [INN]

acenocoumarol; acenocoumarolum; acenocumarol

Acenocoumarolum

Acenocoumarolum [INN-latin]

Acenocumarol

Acenocumarolo

Acenocumarolo [DCIT]

Acenocumarolum

Acenokumarin

Acenokumarin [Czech]

Alliance Brand of Acenocoumarol

AR-1E2350

Ascumar

BPBio1_000110

BRD-A65051990-001-03-8

BSPBio_000100

C19H15NO6

CHEBI:494206

CHEBI:53766

CHEMBL145253

CHEMBL397420

Ciba Geigy Brand of Acenocoumarol

Ciba-Geigy Brand of Acenocoumarol

CID9052

Coumarin, 3-(alpha-acetonyl-p-nitrobenzyl)-4-hydroxy-

D000074

D07064

DAP000772

DB01418

EINECS 205-807-3

G 23350

G-23,350

G-23350

G23350

HMS1568E22

HSDB 3201

INN); Nicoumalone (BAN)

Jsp002948

LS-55093

MFCD00137816

MI

Mini Sintrom

Mini-sintrom

Mini-sintrom (TN)

Minisintrom

MLS000539171

MLS001074461

MolPort-002-798-798

NCGC00179658-01

Neositron

NF

NF); Nicoumalone (BAN)

Nicoumalone

Nicumalon

Nitrophenylacetylethyl-4-hydroxycoumarine

Nitrovarfarian

Nitrowarfarin

Nitrowarfarin;Nitrovarfarian;Nitrophenylacetylethyl-4-hydroxycoumarine;Acenocoumarolum [INN-latin];Nicoumalone;Nicumalon;Acenocoumarin

Novartis Brand of Acenocoumarol

Prestwick0_000110

Prestwick1_000110

Prestwick2_000110

Prestwick3_000110

Prestwick_773

Sincoumar

Sinkumar

Sinthrom

Sinthrome

Sintrom

Sintroma

SMR000162652

SPBio_002039

Syncoumar

Syncumar

Synthrom

Syntrom

UNII-I6WP63U32H

Zotil

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 10.47 -39.37 0 7 -1 116 352.322 5 ↓
Mid Mid (pH 6-8) 2.99 9.22 -13.51 1 7 0 113 353.33 5 ↓
Lo Low (pH 4.5-6) 2.99 10.01 -24.17 1 7 0 113 353.33 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.05e-02 g/l DrugBank-approved
ALOGPS_SOLUBILITY 1.06e-02 g/l DrugBank-approved
Therapy anticoagulant SMDC Pharmakon

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )