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Details

Stereochemistry ACHIRAL
Molecular Formula C23H31NO8
Molecular Weight 449.4941
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MYCOPHENOLATE MOFETIL N-OXIDE

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC(=O)OCC[N+]3([O-])CCOCC3

InChI

InChIKey=MNDAMCFHWPXNAW-SYZQJQIISA-N
InChI=1S/C23H31NO8/c1-15(5-7-19(25)31-13-10-24(28)8-11-30-12-9-24)4-6-17-21(26)20-18(14-32-23(20)27)16(2)22(17)29-3/h4,26H,5-14H2,1-3H3/b15-4+

HIDE SMILES / InChI

Molecular Formula C23H31NO8
Molecular Weight 449.4941
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:22:18 UTC 2023
Edited
by admin
on Sat Dec 16 08:22:18 UTC 2023
Record UNII
E48LN85F8Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MYCOPHENOLATE MOFETIL N-OXIDE
Common Name English
MYCOPHENOLATE MOFETIL IMPURITY, N-OXIDE ANALOG- [USP IMPURITY]
Common Name English
MYCOPHENOLATE MOFETIL IMPURITY G [EP IMPURITY]
Common Name English
2-(MORPHOLIN-4-YL)ETHYL (4E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE N-OXIDE
Systematic Name English
4-HEXENOIC ACID, 6-(1,3-DIHYDRO-4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-, 2-(4-OXIDO-4-MORPHOLINYL)ETHYL ESTER, (4E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
29984917
Created by admin on Sat Dec 16 08:22:18 UTC 2023 , Edited by admin on Sat Dec 16 08:22:18 UTC 2023
PRIMARY
CAS
224052-51-1
Created by admin on Sat Dec 16 08:22:18 UTC 2023 , Edited by admin on Sat Dec 16 08:22:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID90176940
Created by admin on Sat Dec 16 08:22:18 UTC 2023 , Edited by admin on Sat Dec 16 08:22:18 UTC 2023
PRIMARY
FDA UNII
E48LN85F8Y
Created by admin on Sat Dec 16 08:22:18 UTC 2023 , Edited by admin on Sat Dec 16 08:22:18 UTC 2023
PRIMARY
Related Record Type Details
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CHROMATOGRAPHIC PURITY (HPLC/UV)
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