UCSF

ZINC26573040

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 35 Yes

Popular Name: Almitrine Almitrine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 27469-53-0 , 29608-49-9 , [29608-49-9]

Other Names:

(Diallylamino-4'-6'-triazinyl-2')-1-(bis p-fluorobenzydryl)-4 piperazine bis methanesulfonate; 1,3,5-Triazine-2,4-diamine, 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-, dimethanesulfonate; 2,4-Bis(allylamino)-6-(4-(bis(p-fluoropheny

(Diallylamino-4'-6'-triazinyl-2')-1-(bis p-fluorobenzydryl)-4 piperazine bis methanesulfonate; 2,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine dimethanesulfonate; 6-(4-(Bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-pro

1,3,5-Triazine-2,4-diamine, 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-

2,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine

2,4-bis[allylamino]-6-[4-[bis(p-fluorophenyl)methyl]-1-piperazinyl]-s-triazine

27469-53-0

27469-53-0; Almitrine (INN); D07126

29608-49-9 (dimesylate)

6-(4-(Bis(4-fluorphenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-1,3,5-triazin-2,4-diamin

6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

AC1L1QHF

AC1Q4NMG

Almitrin

Almitrina

Almitrina [INN-Spanish]

almitrina; almitrine; almitrinum

Almitrine (BAN

Almitrine (INN)

Almitrine Bis(methanesulfonate)

Almitrine bismesylate

Almitrine bismesylate;Almitrine dimesylate

Almitrine bismethane sulfonate

Almitrine dimesilate

Almitrine dimesylate

Almitrine mesylate

Almitrine [BAN:INN]

Almitrine [INN:BAN]

Almitrine-raubasine; Duxil; LS-186792; Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19alpha)-, mixt. with 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine; SE 5023

Almitrinum

Almitrinum [INN-Latin]

C26H29F2N7

CHEBI:233800

CHEBI:53778

CID33887

D07126

DAP000468

DB01430

Doxil

Duxil

EINECS 248-475-5

INN); Almitrine Mesylate (USAN)

LS-174185

MFCD00868102

MFCD01679060

N,N'-Diallyl-6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1,3,5-triazine-2,4-diamine dimethanesulphonate

N,N'-diallyl-6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-1,3,5-triazine-2,4-diamine

S 2620

S-2620

UNII-9A1222NBG4

Vectarion

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) 6.15 16.13 -32.16 3 7 1 70 478.571 10 ↓
Mid Mid (pH 6-8) 6.15 17.91 -96.39 4 7 2 72 479.579 10 ↓
Mid Mid (pH 6-8) 6.15 15.83 -9.78 2 7 0 69 477.563 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.44e-02 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0051023A1; EP0911039A2; EP1005324A1; EP1021204A2; US4364946; US4432973; US4762855; US4835184; US5075290; US5420112; US5446070; US5569648; US5633228; US5648335; US5656286; US5712310; US5719197; US6024976; WO1996040086A2; WO1997033572A1; WO1998056334A1; W IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.