U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C29H42N2O9
Molecular Weight 562.6518
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-(4-MORPHOLINYL)ETHOXY) MYCOPHENOLATE MOFETIL

SMILES

COC1=C(C)C2=C(C(=O)OC2OCCN3CCOCC3)C(O)=C1C\C=C(/C)CCC(=O)OCCN4CCOCC4

InChI

InChIKey=XKAOBWLSKUSFOB-LRNAUUFOSA-N
InChI=1S/C29H42N2O9/c1-20(5-7-23(32)38-18-12-30-8-14-36-15-9-30)4-6-22-26(33)25-24(21(2)27(22)35-3)29(40-28(25)34)39-19-13-31-10-16-37-17-11-31/h4,29,33H,5-19H2,1-3H3/b20-4+

HIDE SMILES / InChI

Molecular Formula C29H42N2O9
Molecular Weight 562.6518
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:07:42 UTC 2023
Edited
by admin
on Sat Dec 16 08:07:42 UTC 2023
Record UNII
0W13F6K1DJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-(4-MORPHOLINYL)ETHOXY) MYCOPHENOLATE MOFETIL
Common Name English
MYCOPHENOLATE MOFETIL IMPURITY, 1-MORPHOLINOETHOXY ANALOG- [USP IMPURITY]
Common Name English
4-HEXENOIC ACID, 6-(1,3-DIHYDRO-4-HYDROXY-6-METHOXY-7-METHYL-1-(2-(4-MORPHOLINYL)ETHOXY)-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-, 2-(4-MORPHOLINYL)ETHYL ESTER, (4E)-
Systematic Name English
1-(2-(4-MORPHOLINYL)ETHOXY) MYCOPHENOLATE MOFETIL, (±)-
Common Name English
MYCOPHENOLATE MOFETIL IMPURITY B [EP IMPURITY]
Common Name English
2-(MORPHOLIN-4-YL)ETHYL (4E)-6-((1RS)-4-HYDROXY-6-METHOXY-7-METHYL-1-(2-(MORPHOLIN-4-YL)ETHOXY)-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE
Systematic Name English
Code System Code Type Description
CAS
1094322-91-4
Created by admin on Sat Dec 16 08:07:42 UTC 2023 , Edited by admin on Sat Dec 16 08:07:42 UTC 2023
PRIMARY
FDA UNII
0W13F6K1DJ
Created by admin on Sat Dec 16 08:07:42 UTC 2023 , Edited by admin on Sat Dec 16 08:07:42 UTC 2023
PRIMARY
PUBCHEM
25144924
Created by admin on Sat Dec 16 08:07:42 UTC 2023 , Edited by admin on Sat Dec 16 08:07:42 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 2.1
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP