7-O-DESMETHYL-7-O-ETHYL EVEROLIMUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H85NO14
Molecular Weight	972.251
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-O-DESMETHYL-7-O-ETHYL EVEROLIMUS

Structure Search

SMILES

[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C2)OCC)[C@H](C)C[C@@H]4CC[C@@H](OCCO)[C@@H](C4)OC

InChI

InChIKey=ZAZQORCAKVOXCS-IHGAXOOCSA-N

InChI=1S/C54H85NO14/c1-11-66-45-31-41-22-20-39(8)54(63,69-41)51(60)52(61)55-24-16-15-19-42(55)53(62)68-46(36(5)29-40-21-23-44(67-26-25-56)47(30-40)64-9)32-43(57)35(4)28-38(7)49(59)50(65-10)48(58)37(6)27-33(2)17-13-12-14-18-34(45)3/h12-14,17-18,28,33,35-37,39-42,44-47,49-50,56,59,63H,11,15-16,19-27,29-32H2,1-10H3/b14-12+,17-13+,34-18+,38-28+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,54-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

7-O-DESMETHYL-7-O-ETHYL EVEROLIMUS

Common Name

English

7-DEMETHOXY-7-ETHOXY-42-O-(2-HYDROXYETHYL)RAPAMYCIN

Systematic Name

English

(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,26R,27R,34AS)-21-ETHOXY-9,27-DIHYDROXY-3-((R)-1-((1S,3R,4R)-4-(2-HYDROXYETHOXY)-3-METHOXYCYCLOHEXYL)PROPAN-2-YL)-10-METHOXY-6,8,12,14,20,26-HEXAMETHYL-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34A-HEXADECAHYDRO-

Systematic Name

English

EVEROLIMUS O-ETHYL IMPURITY

Common Name

English

RAPAMYCIN, 7-DEMETHOXY-7-ETHOXY-42-O-(2-HYDROXYETHYL)-

Systematic Name

English

Code System Code Type Description

CAS

1704711-12-5

Created by admin on Sat Dec 16 18:58:23 GMT 2023 , Edited by admin on Sat Dec 16 18:58:23 GMT 2023

PRIMARY

FDA UNII

2CYA2X8ZTL

Created by admin on Sat Dec 16 18:58:23 GMT 2023 , Edited by admin on Sat Dec 16 18:58:23 GMT 2023

PRIMARY

SUBSTANCE RECORD


					2CYA2X8ZTL

7-O-DESMETHYL-7-O-ETHYL EVEROLIMUS