U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C53H85NO15
Molecular Weight 976.2397
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of EVEROLIMUS ACID

SMILES

[H][C@@]2(C[C@H](OC)C(\C)=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)C(\C)=C\[C@@H](C)C(=O)C[C@H](O)[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC)CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N3CCCC[C@H]3C(O)=O

InChI

InChIKey=CKQDLIBRKRCTPR-DKBZHAOTSA-N
InChI=1S/C53H85NO15/c1-32(16-12-11-13-17-33(2)45(65-8)30-40-21-19-38(7)53(64,69-40)50(60)51(61)54-23-15-14-18-41(54)52(62)63)26-36(5)47(58)49(67-10)48(59)37(6)27-34(3)42(56)31-43(57)35(4)28-39-20-22-44(68-25-24-55)46(29-39)66-9/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,57,59,64H,14-15,18-26,28-31H2,1-10H3,(H,62,63)/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43+,44-,45+,46-,48-,49+,53-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
EVEROLIMUS ACID
Common Name English
2-PIPERIDINECARBOXYLIC ACID, 1-(2-((2R,3R,6S)-6-((2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,20S,21R)-14,20-DIHYDROXY-22-((1S,3R,4R)-4-(2-HYDROXYETHOXY)-3-METHOXYCYCLOHEXYL)-2,13-DIMETHOXY-3,9,11,15,17,21-HEXAMETHYL-12,18-DIOXO-3,5,7,15-DOCOSATETRAEN-1-YL)TETRAH
Systematic Name English
EVEROLIMUS (RING-OPENED ACID)
Common Name English
Code System Code Type Description
CAS
220127-30-0
Created by admin on Sat Dec 16 09:15:16 GMT 2023 , Edited by admin on Sat Dec 16 09:15:16 GMT 2023
PRIMARY
PUBCHEM
155487441
Created by admin on Sat Dec 16 09:15:16 GMT 2023 , Edited by admin on Sat Dec 16 09:15:16 GMT 2023
PRIMARY PUBCHEM
FDA UNII
QKH7MLE47U
Created by admin on Sat Dec 16 09:15:16 GMT 2023 , Edited by admin on Sat Dec 16 09:15:16 GMT 2023
PRIMARY