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2-(3-(Diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenyl isobutyrate

HCID 178587643
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
250214-44-9
Standard SMILES
CC(C)C(=O)Oc1ccc(CO)cc1C(CCN(C(C)C)C(C)C)c1ccccc1
InChIKey
DCCSDBARQIPTGU-UHFFFAOYSA-N
Molecular formula
C26H37NO3
Average molar mass
411.6 g/mol
Monoisotopic mass
411.27734404

Names & identifiers

Preferred name
2-(3-(Diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenyl isobutyrate
IUPAC
[2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate
English name
FESOTERODINE
Molecular formula
C26H37NO3
Molecular weight
411.58

Names & synonyms

250214-44-92-(3-(Diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenyl isobutyrate(S)-Fesoterodine HClFesoteridonestarbld0041567SCHEMBL812986(S)-Fesoterodine HydrochlorideSCHEMBL15148766SB19322DS-022588CS-0079352NS00014333
Show more names
FESOTERODINErac FesoterodinePF-00695838 maleateFexolodine impurity 9FESOTERODINE USP/EP/BPFesoterodine Impurity 92-Methylpropanoic acid 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl esterPropanoic acid, 2-methyl-, 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl ester

Database identifiers

CAS
250214-44-9

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
49.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
30
Formal charge
0
Complexity
491

Experimental & physicochemical properties

DrugsPharmaceuticals

Physicochemical properties

Boiling point
518.9 · 518.9±50.0 °C(Predicted)
Density
1.043 · 1.043
pka
14.27 · 14.27±0.10(Predicted)
CAS DataBase Reference
250214 · 250214-44-9
FDA UNII
621 G617227 · 621G617227
ATC code
4 BD11 · G04BD11

Chemistry & industry

Applications

UsesFESOTERODINE was scheduled to receive FDA approval in the United States on October 31, 2008, for the treatment of overactive bladder (OAB).

Suppliers25 total

济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
四川星优天下医药科技有限公司18328380615 · [email protected]
深圳市思美泉生物科技有限公司17683743113;18038040196 · [email protected]
希瓦生物科技(广州)有限公司13268215580 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
PubChem CID
23161409
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
重庆卡兰医药有限公司[email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]