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Sch 57068 structure, CAS 182167-02-8

Sch 57068

CAS Number182167-02-8

Synonyms(S)-3-(4-carboxybenzyl)willardiine; (aS)-a-Amino-3-((4-carboxyphenyl)methyl)-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinepropanoicacid; (S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2H-1-benzopyran-7-ol; UBP 282

Molecular FormulaC29H31O4N1

Molecular Weight457.57

Purity

Density

Boiling Point651.5ºC at 760mmHg

Melting Point

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-3186908 Purity:
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Quality Control of [ 182167-02-8 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number182167-02-8
Catalog No.2A-3186908
Chinese Name阿考比芬
Synonyms(S)-3-(4-carboxybenzyl)willardiine; (aS)-a-Amino-3-((4-carboxyphenyl)methyl)-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinepropanoicacid; (S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2H-1-benzopyran-7-ol; UBP 282
Molecular FormulaC29H31O4N1
Molecular Weight457.57
Boiling Point651.5ºC at 760mmHg
Appearancesolid
Storage Condition2-8°C, sealed
ApplicationAcolbifene (EM652) is a fourth-generation selective estrogen receptor antagonist with an LC50 value of 22±3 nM.
PubChem ID10252623
MDL NumberMFCD09837712
SMILESCC1=C(c2ccc(O)cc2)C(c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C29H31NO4.ClH/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30;/h5-14,19,29,31-32H,2-4,15-18H2,1H3;1H/t29-;/m0./s1
InChI KeyDUYNJNWVGIWJRI-LJAQVGFWSA-N
Transport InfoProduct Name: Acobifen
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