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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H45NO7
Molecular Weight 639.7771
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RWJ-443931

SMILES

CC(C)(C)C(=O)OC1=CC2=C(C=C1)C3=C(CO2)C4=C(O[C@@H]3C5=CC=C(OCCN6CCCCC6)C=C5)C=C(OC(=O)C(C)(C)C)C=C4

InChI

InChIKey=HFEFFYLNWHUHTO-PGUFJCEWSA-N
InChI=1S/C39H45NO7/c1-38(2,3)36(41)45-27-15-17-30-32(22-27)44-24-31-29-16-14-28(46-37(42)39(4,5)6)23-33(29)47-35(34(30)31)25-10-12-26(13-11-25)43-21-20-40-18-8-7-9-19-40/h10-17,22-23,35H,7-9,18-21,24H2,1-6H3/t35-/m1/s1

HIDE SMILES / InChI

Molecular Formula C39H45NO7
Molecular Weight 639.7771
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:08:02 UTC 2023
Edited
by admin
on Sat Dec 16 19:08:02 UTC 2023
Record UNII
EU9DD7762T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RWJ-443931
Code English
BIS(2,2-DIMETHYLPROPIONIC ACID) 5(R)-(4-(2-(1-PIPERIDINYL)ETHOXY)PHENYL)-5,11-DIHYDRO-1-BENZOPYRAN(4,3-C)(1)BENZOPYRAN-2,8-DIYL DIESTER
Systematic Name English
RWJ443931
Code English
PROPANOIC ACID, 2,2-DIMETHYL-, 1,1'-((5R)-5,11-DIHYDRO-5-(4-(2-(1-PIPERIDINYL)ETHOXY)PHENYL)(1)BENZOPYRANO(4,3-C)(1)BENZOPYRAN-2,8-DIYL) ESTER
Systematic Name English
1,1'-((5R)-5,11-DIHYDRO-5-(4-(2-(1-PIPERIDINYL)ETHOXY)PHENYL)(1)BENZOPYRANO(4,3-C)(1)BENZOPYRAN-2,8-DIYL) BIS(2,2-DIMETHYLPROPANOATE)
Systematic Name English
Code System Code Type Description
FDA UNII
EU9DD7762T
Created by admin on Sat Dec 16 19:08:03 UTC 2023 , Edited by admin on Sat Dec 16 19:08:03 UTC 2023
PRIMARY
CAS
554429-88-8
Created by admin on Sat Dec 16 19:08:03 UTC 2023 , Edited by admin on Sat Dec 16 19:08:03 UTC 2023
PRIMARY
PUBCHEM
10218853
Created by admin on Sat Dec 16 19:08:03 UTC 2023 , Edited by admin on Sat Dec 16 19:08:03 UTC 2023
PRIMARY
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