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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H47NO6
Molecular Weight 625.7936
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCH-57050

SMILES

CC1=C([C@@H](OC2=C1C=CC(OC(=O)C(C)(C)C)=C2)C3=CC=C(OCCN4CCCCC4)C=C3)C5=CC=C(OC(=O)C(C)(C)C)C=C5

InChI

InChIKey=OEKMGABCSLYWOP-DHUJRADRSA-N
InChI=1S/C39H47NO6/c1-26-32-20-19-31(45-37(42)39(5,6)7)25-33(32)46-35(34(26)27-11-17-30(18-12-27)44-36(41)38(2,3)4)28-13-15-29(16-14-28)43-24-23-40-21-9-8-10-22-40/h11-20,25,35H,8-10,21-24H2,1-7H3/t35-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SCH-57050
Code English
SCH57050
Code English
EM-800
Code English
PROPANOIC ACID, 2,2-DIMETHYL-, (2S)-3-(4-(2,2-DIMETHYL-1-OXOPROPOXY)PHENYL)-4-METHYL-2-(4-(2-(1-PIPERIDINYL)ETHOXY)PHENYL)-2H-1-BENZOPYRAN-7-YL ESTER
Systematic Name English
EM800
Code English
Code System Code Type Description
EPA CompTox
DTXSID60939529
Created by admin on Fri Dec 15 15:47:03 UTC 2023 , Edited by admin on Fri Dec 15 15:47:03 UTC 2023
PRIMARY
PUBCHEM
9873952
Created by admin on Fri Dec 15 15:47:03 UTC 2023 , Edited by admin on Fri Dec 15 15:47:03 UTC 2023
PRIMARY
FDA UNII
XCR716LECP
Created by admin on Fri Dec 15 15:47:03 UTC 2023 , Edited by admin on Fri Dec 15 15:47:03 UTC 2023
PRIMARY
CAS
182167-03-9
Created by admin on Fri Dec 15 15:47:03 UTC 2023 , Edited by admin on Fri Dec 15 15:47:03 UTC 2023
PRIMARY