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Details

Stereochemistry MIXED
Molecular Formula C18H22O6
Molecular Weight 334.3637
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Cyclopropane Mycophenolic Acid

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(O)=C1CC3CC3(C)CCC(O)=O

InChI

InChIKey=QVUZLDOXUBRWHS-UHFFFAOYSA-N
InChI=1S/C18H22O6/c1-9-12-8-24-17(22)14(12)15(21)11(16(9)23-3)6-10-7-18(10,2)5-4-13(19)20/h10,21H,4-8H2,1-3H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C18H22O6
Molecular Weight 334.3637
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:44:22 GMT 2025
Edited
by admin
on Wed Apr 02 17:44:22 GMT 2025
Record UNII
K3KQZ35XQR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Mycophenolic Acid Cyclopropane Analogue
Preferred Name English
1-Cyclopropane Mycophenolic Acid
Common Name English
Cyclopropanepropanoic acid, 2-[(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)methyl]-1-methyl-
Systematic Name English
2-[(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)methyl]-1-methylcyclopropanepropanoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
15625175
Created by admin on Wed Apr 02 17:44:22 GMT 2025 , Edited by admin on Wed Apr 02 17:44:22 GMT 2025
PRIMARY
FDA UNII
K3KQZ35XQR
Created by admin on Wed Apr 02 17:44:22 GMT 2025 , Edited by admin on Wed Apr 02 17:44:22 GMT 2025
PRIMARY
CAS
125198-40-5
Created by admin on Wed Apr 02 17:44:22 GMT 2025 , Edited by admin on Wed Apr 02 17:44:22 GMT 2025
PRIMARY
Related Record Type Details
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