UCSF

ZINC00057115

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: Aminopyrine Aminopyrine

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 58-15-1 , 83-07-8, 747-30-8 [aminophenazone cyclamate]

Other Names:

(Dimethylamino)phenazone; 1,5-Dimethyl-4-dimethylamino-2-phenyl-3-pyrazolone; 1-Phenyl-2,3-dimethyl-4-(dimethylamino)-5-pyrazolone; 1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazol-5-one; 2,3-Dimethyl-4-dimethylamino-1-phenyl-5-pyrazolone; 3-Keto-1,5-dimethyl

1,5-dimethyl-4-dimethylamino-2-phenyl-3-pyrazolone; 1-phenyl-2,3-dimethyl-4-dimethylaminopyrazol-5-one; 2,3-dimethyl-4-dimethylamino-1-phenyl-5-pyrazolone; 3-Keto-1,5-dimethyl-4-dimethylamino-2-phenyl-2,3-dihydropyrazole; 3-Pyrazolin-5-one, 4-(dimethylami

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-, compd. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:2); LS-135689; Pyrabital

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-, mixed with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1); 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-, mixt. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazo

3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(dimethylamino)-2-phenyl-, compd. with 3-(2-methoxyphenoxy)-1,2-propanediol (4:3); LS-129083; Myosedan

3H-pyrazol-3-one, 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-

4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

4-(Dimethylamino)antipyrine

4-(Dimethylamino)antipyrine, 98+%

4-Dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one

4-Dimethylamino-2,3-dimethyl-1-phenylpyrazol-5-one

4-Dimethylaminoantipyrine

4-Dimethylaminoantipyrine, 97%

4-Dimethylaminoantipyrine; 58-15-1; Aminopyrine; C07539

4-Dimethylaminoantipyrine;Aminopyrine;Dipyrine

58-15-1; Amidopyrine; Prestwick_14

58-15-1; Aminophenazone (INN); Aminopyrine (JAN); D00556

Amidopyrin

Amidopyrine

aminofenazona; aminophenazone; aminophenazonum

Aminophenazone

Aminophenazone (INN); Aminopyrine (JAN

Aminophenazone Cyclamate (INN); Aminophenazone (INN); Aminopyrine (JAN

BRD-K12568846-001-04-7

Dipyrine

LS-21380

MFCD00003142

MI

N/A

NF)

NF); Aminophenazone Cyclamate (INN)

PYRAMIDON

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.43 6.51 -17.17 0 4 0 30 231.299 2 ↓
Mid Mid (pH 6-8) 1.43 7.19 -38.37 1 4 1 31 232.307 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 105 - 110 Acros Organics
Melting_Point 105-109? Alfa-Aesar
Melting_Point 105-109° Alfa-Aesar
mp 107 MolMall (formerly Molecular Diversity Preservation International)
ALOGPS_SOLUBILITY 2.25e+01 g/l DrugBank-approved
Therapy antipyretic, analgesic SMDC Pharmakon
UniProt Database Links CP2CP_MESAU; CP2CQ_MESAU; CP2CR_MESAU; CP2CS_MESAU; CP2L1_PANAR; TGFA_RABIT ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H312: Harmful in contact with skin; H302: Harmful if swallowed; H335: May cause respiratory irritation Acros Organics
Target Others Selleck Chemicals
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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