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Details

Stereochemistry ACHIRAL
Molecular Formula C22H29NO7
Molecular Weight 419.4682
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of O-DESMETHYL MYCOPHENOLATE MOFETIL

SMILES

C\C(CCC(=O)OCCN1CCOCC1)=C/CC2=C(O)C3=C(COC3=O)C(C)=C2O

InChI

InChIKey=QGQXAMBOYWULFX-LZWSPWQCSA-N
InChI=1S/C22H29NO7/c1-14(4-6-18(24)29-12-9-23-7-10-28-11-8-23)3-5-16-20(25)15(2)17-13-30-22(27)19(17)21(16)26/h3,25-26H,4-13H2,1-2H3/b14-3+

HIDE SMILES / InChI

Molecular Formula C22H29NO7
Molecular Weight 419.4682
Charge 0
Count
Stereochemistry ACHIRAL
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 08:22:17 UTC 2023
Edited
by admin
on Sat Dec 16 08:22:17 UTC 2023
Record UNII
L8329PU63Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DESMETHYL MYCOPHENOLATE MOFETIL
Common Name English
MYCOPHENOLATE MOFETIL RELATED COMPOUND A [USP IMPURITY]
Common Name English
MYCOPHENOLATE MOFETIL IMPURITY A [EP IMPURITY]
Common Name English
4-HEXENOIC ACID, 6-(1,3-DIHYDRO-4,6-DIHYDROXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-, 2-(4-MORPHOLINYL)ETHYL ESTER, (4E)-
Systematic Name English
MYCOPHENOLATE MOFETIL RELATED COMPOUND A
USP  
Common Name English
2-(MORPHOLIN-4-YL)ETHYL (4E)-6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE
Systematic Name English
MYCOPHENOLATE MOFETIL RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1448967
Created by admin on Sat Dec 16 08:22:17 UTC 2023 , Edited by admin on Sat Dec 16 08:22:17 UTC 2023
PRIMARY
CAS
1322681-36-6
Created by admin on Sat Dec 16 08:22:17 UTC 2023 , Edited by admin on Sat Dec 16 08:22:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID70157454
Created by admin on Sat Dec 16 08:22:17 UTC 2023 , Edited by admin on Sat Dec 16 08:22:17 UTC 2023
PRIMARY
PUBCHEM
29977541
Created by admin on Sat Dec 16 08:22:17 UTC 2023 , Edited by admin on Sat Dec 16 08:22:17 UTC 2023
PRIMARY
FDA UNII
L8329PU63Z
Created by admin on Sat Dec 16 08:22:17 UTC 2023 , Edited by admin on Sat Dec 16 08:22:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP