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Details

Stereochemistry ABSOLUTE
Molecular Formula C53H83NO14
Molecular Weight 958.2244
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 5
Charge 0

SHOW SMILES / InChI
Structure of Everolimus-19-ene open ring

SMILES

CO[C@@H](C[C@@H]1CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N2CCCC[C@H]2C(O)=O)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\[C@H](C)C[C@@H]3CC[C@@H](OCCO)[C@@H](C3)OC

InChI

InChIKey=PRSJHEVLVQFMHJ-FRLQEACCSA-N
InChI=1S/C53H83NO14/c1-33(16-12-11-13-17-35(3)45(64-8)32-41-22-20-39(7)53(63,68-41)50(59)51(60)54-25-15-14-18-42(54)52(61)62)28-37(5)47(57)49(66-10)48(58)38(6)30-36(4)43(56)23-19-34(2)29-40-21-24-44(67-27-26-55)46(31-40)65-9/h11-13,16-17,19,23,30,33-34,36-37,39-42,44-46,48-49,55,58,63H,14-15,18,20-22,24-29,31-32H2,1-10H3,(H,61,62)/b13-11+,16-12+,23-19+,35-17+,38-30+/t33-,34+,36-,37-,39-,40+,41+,42+,44-,45+,46-,48-,49+,53-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Everolimus-19-ene open ring
Common Name English
(S)-1-{2-[(2R,3R,6S)-2-Hydroxy-6-{(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaen-1-yl}-3-methyltetrahydro-2H-
Systematic Name English
Everolimus EP Impurity B (Acid)
Common Name English
2-Piperidinecarboxylic acid, 1-[2-oxo-2-[(2R,3R,6S)-tetrahydro-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-3,5,7,15,19-
Systematic Name English
Code System Code Type Description
CAS
1062122-63-7
Created by admin on Sat Dec 16 18:59:27 GMT 2023 , Edited by admin on Sat Dec 16 18:59:27 GMT 2023
PRIMARY
PUBCHEM
139025362
Created by admin on Sat Dec 16 18:59:27 GMT 2023 , Edited by admin on Sat Dec 16 18:59:27 GMT 2023
PRIMARY
FDA UNII
QAQ4Q483BA
Created by admin on Sat Dec 16 18:59:27 GMT 2023 , Edited by admin on Sat Dec 16 18:59:27 GMT 2023
PRIMARY