UCSF

ZINC00000856

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 25 No

Popular Name: Formoterol fumarate Formoterol fumarate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 128954-45-0 , 43229-80-7 , 73573-87-2 , [73573-87-2]

Other Names:

(+)-formoterol; (S,S)-N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formaldehyde

(+-)-2'-Hydroxy-5'-((R*)-1-hydroxy-2-(((R*)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide fumarate (2:1) (salt); Aformoterol; Atock; BD 40A; CGP 25827A; Foradil; Foradil Certihaler; Foradil acrolizer; Formamide, N-(2-hydroxy-5-((1R)-1-hydroxy-2-

(+-)-2'-Hydroxy-5'-((RS)-1-hydroxy-2-(((RS)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide

(+-)-2'-Hydroxy-5'-((RS)-1-hydroxy-2-(((RS)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide; 3-formylamino-4-hydroxy-alpha-(N-1-methyl-2-p-methoxyphenethylaminomethyl)benzyl alcohol.hemifumarate; BD 40A; C19H24N2O4; Foradil; Formoterol; Formoterol

(-)-Formoterol

(R,R)-Formoterol

(S,S)-formoterol

terol

126587-85-7

128954-45-0

183814-29-1

208102-40-3

289657-27-8

299964-45-7

3-formylamino-4-hydroxy-alpha-(N-1-methyl-2-p-methoxyphenethylaminomethyl)benzyl alcohol.hemifumarate

43229-80-7; D01373; Foradil (TN); Formoterol fumarate (USAN)

49861-99-6

67346-49-0

73573-87-2

73573-87-2; C07805; Formoterol

73573-87-2; D07990; Formoterol (INN); Oxis (TN)

AC-459

AC1L1FVE

AC1L9NSS

AC1MHY5S

AC1MIIFN

AC1MJ0T4

AC1Q6QRX

AR-1K3797

Arformoterol

Arformoterol (INN)

Atock (TN); D05277; Foradil (TN); Formoterol fumarate dihydrate; Formoterol fumarate hydrate (JP16)

BD-40A; CGP-25827A; YM-08316

BIDD:GT0743

BRD-M00539986-051-01-1

C07805

CHEBI:408174

CHEMBL1363

CID3034756

CID3045233

CID3083544

CID3410

CID449974

CID9862958

CPD000471620; FORMOTEROL FUMARATE DIHYDRATE

CPD000471620; FORMOTEROL FUMARATE DIHYDRATE; SAM001246675

CPD000471620; FORMOTEROL FUMARATE DIHYDRATE; SAM001246675; formoterol fumarate

D07463

D07990

DAP000247

DB00983

DB01274

eformoterol

Foradil

Foradile

Formamide, N-(2-hydroxy-5-((1R)-1-hydroxy-2-(((1R)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)-

Formamide, N-(2-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)-, (R-(R*,R*))-

Formoterol

Formoterol (BAN

Formoterol (INN)

Formoterol fumarate;Formoterolum [INN-Latin]

Formoterol hemifumarate

Formoterol tartrate

Formoterol [USAN:INN:BAN]

formoterol, ((R*,R*)-(+-))-isomer

formoterolfumaratedihydrate

Formoterolum

Formoterolum [INN-Latin]

HSDB 7287

INN); Formoterol Fumarate (FDA

JAN

L000259

LS-187368

LS-187799

LS-69501

MFCD03093863

MFCD05662345

MOLI000351

MolPort-003-847-486

MolPort-005-934-219

MolPort-005-942-483

N-(2-Hydroxy-5-(1-hydroxy-2-((1-(4-methoxyphenyl)propan-2-yl)amino)ethyl)phenyl)formamide

n-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide

N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide

N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide

N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide

N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide

N-{2-hydroxy-5-[(1R)-1-hydroxy-2-({(1R)-1-methyl-2-[4-(methyloxy)phenyl]ethyl}amino)ethyl]phenyl}formamide

N-{2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide

N/A

NCGC00025167-01

NCGC00181126-01

Oxeze Turbuhaler

Oxeze Turbuhaler Foradil

Oxis

Oxis (TN)

Tocris-1448

UNII-5ZZ84GCW8B

UNII-F91H02EBWT

USAN); Formoterol Fumarate Dihydrate (FDA)

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) 2.05 2 -45.35 5 6 1 95 345.419 8 ↓
Hi High (pH 8-9.5) 2.05 0.76 -13.27 4 6 0 91 344.411 8 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.16e-02 g/l DrugBank-approved
Target Adrenergic Receptor Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02131f; 2 water; 1 fumaric acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02131f; SALT: 2 water; 1 fumaric acid NIH Clinical Collection via PubChem

Activity (Go SEA)

Rings

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