| Drug Name |
Mycophenolic acid glucuronide
|
| Synonyms |
MPAG; Mycophenolic acid glucosiduronate; mycophenolic acid glucuronide; UNII-54TS5J9T0K; 54TS5J9T0K; AC1O5XMV; BYFGTSAYQQIUCN-HGIHDBQLSA-N; Mycophenolic Acid ; A-D-Glucuronide; ZINC13550000; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[5-[(E)-6-hydroxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]oxane-2-carboxylic acid; 5-[(2E)-5-Carboxy-3-methyl-2-penten-1-yl]-1,3-dihydro-6-methoxy-7-methyl-3-oxo-4-isobenzofuranyl
|
| ATC Code |
- L04AA06: Mycophenolic acid glucuronide
- L04AA: Selective immunosuppressants
- L04A: IMMUNOSUPPRESSANTS
- L04: IMMUNOSUPPRESSANTS
- L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- L04AA06: Mycophenolic acid glucuronide
- L04AA: Selective immunosuppressants
- L04A: IMMUNOSUPPRESSANTS
- L04: IMMUNOSUPPRESSANTS
- L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
#Ro5 Violations (Lipinski):
1 |
Molecular Weight |
496.5 |
| Logarithm of the Partition Coefficient |
Not Available |
| Rotatable Bond Count |
9 |
| Hydrogen Bond Donor Count |
5 |
| Hydrogen Bond Acceptor Count |
12 |
| Chemical Identifiers |
- Formula
- C23H28O12
- IUPAC Name
(2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid - Canonical SMILES
-
CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O
- InChI
-
InChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4+/t15-,16-,17+,20-,23+/m0/s1
- InChIKey
-
BYFGTSAYQQIUCN-HGIHDBQLSA-N
|
| Cross-matching ID |
- PubChem CID
- 6442661
- CAS Number
-
- VARIDT ID
- DR01591
|
|
|
|
|
|
|
|
