|
| ID |
DDInter458 |
| Drug Type |
small molecule |
| Molecular Formula |
C62H111N11O12 |
| Molecular Weight |
-
|
| Description |
Cyclosporine is a steroid-sparing immunosuppressant used in organ and bone marrow transplants as well as inflammatory conditions such as ulcerative colitis, rheumatoid arthritis, and atopic dermatitis.
|
| ATC Classification |
L04AD01
S01XA18
|
| IUPAC Name |
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(1R,2R,4E)-1-Hydroxy-2-Methylhex-4-En-1-Yl]-1,4,7,10,12,15,19,25,28-Nonameth |
| InChI |
Inchi=1S/C62H111N11O12/C1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/H25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/B27-25+/T40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/M1/S1 |
| InChI Key |
PMATZTZNYRCHOR-CGLBZJNRSA-N |
| Canonical SMILES |
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |
| Useful Links |
DrugBank
ChEMBL
PubChem
|