Basic information
- CAS
113299-40-4- Standard SMILES
C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1- InChIKey
LKJPYSCBVHEWIU-KRWDZBQOSA-N- Molecular formula
- C18H14F4N2O4S
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.06104075
Overview
(R)-bicalutamide is a N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (R)-enantiomer of bicalutamide. It has a role as an androgen antagonist and an antineoplastic agent. It is an enantiomer of a (S)-bicalutamide.
Names & identifiers
- Preferred name
- (R)-Bicalutamide
- IUPAC
- (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
- English name
- (R)-Bicalutamide
- Molecular formula
- C18H14F4N2O4S
- Molecular weight
- 430.37
Names & synonyms
(R)-Bicalutamide113299-40-4(R)-CasodexR-BICALUTAMIDE(-)-Bicalutamide(R)-(-)BicalutamideBicalutamide, (R)-Z9DL98I0AFBicalutamide, (-)-(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamideCHEBI:39589DTXSID501016794
Show more names
ICI-187555R-BICALUTIMIDE(R)-(-)-BICALUTAMIDEBicalutaMide R-IsoMerBicalutamide impurity ABicalutamide Impurity 14(R)-Bicalutamide, androgen receptor antagonistN-[4-Cyano-3-(Trifluoromethyl)Phenyl]-3-[(4-Flurophenyl)Thio]-2-Hydroxy-2-Methyl-Propanamide
AZD-1907Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (2R)-(2R)-N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamideRefChem:407385DTXCID702678618-534-3(2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE(R)-N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide
Database identifiers
- CAS
113299-40-4、90357-06-5- PubChem CID
- 56069
- DTXSID
DTXSID501016794- ChEMBL
CHEMBL63560- ChEBI
CHEBI:39589- UNII
- Z9DL98I0AF
- EC Number
- 618-534-3、692-949-8
- Nikkaji
- J389.229H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 750
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.87
Physicochemical properties
- Melting point
- 178 · 178-181°C
- Boiling point
- 650.3 · 650.3±55.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Acetone (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 11.49 · 11.49±0.29(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 113299 · 113299-40-4(CAS DataBase Reference)
- FDA UNII
- 9 DL98I0AF · Z9DL98I0AF
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 351 · H351-H360-H410
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (88.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 138 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (88.4%)
Carc. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09
- Hazard statements
- H351-H360-H410
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P273-P391-P501
Chemistry & industry
Applications
Uses(R)-Bicalutamide can be used as an antiandrogen, antineoplastic (hormonal).
Suppliers75 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海波以尔化工有限公司[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Hebei Shengyuan Jinlong Import and Export Co. LTD+86-17367750398 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
惠州拓康生物科技有限公司+86 (0752) 222-7171, +86 15815821171
Cato Research Chemicals Inc.020-81960175 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
邯郸统溢新材料科技有限公司17330042575 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
BOC Sciences16314854226 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
宜昌尚诺德生物医药科技有限公司0717-6855399 15377615856 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
深圳市华信医药科技有限公司15671363360 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Additional notes
DefinitionChEBI: (R)-bicalutamide is a N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (R)-enantiomer of bicalutamide. It has a role as an androgen antagonist and an antineoplastic agent. It is an enantiomer of a (S)-bicalutamide.
Related reactions
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Compound notes
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