Everolimus Retroaldol Degradation Product

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H83NO14
Molecular Weight	958.2244
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure of Everolimus Retroaldol Degradation Product

Structure Search

SMILES

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

InChI

InChIKey=IWYZQBWTMLODNQ-CTQWDHTPSA-N

InChI=1S/C53H83NO14/c1-34(26-38(5)45(58)33-63-8)16-12-11-13-17-36(3)47(64-9)30-42-21-19-40(7)53(62,68-42)50(59)51(60)54-23-15-14-18-43(54)52(61)67-48(31-44(57)37(4)27-35(2)32-56)39(6)28-41-20-22-46(66-25-24-55)49(29-41)65-10/h11-13,16-17,27,32,34,37-43,46-49,55,62H,14-15,18-26,28-31,33H2,1-10H3/b13-11+,16-12+,35-27+,36-17+/t34-,37-,38-,39-,40-,41+,42+,43+,46-,47+,48+,49-,53-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Everolimus Retroaldol Degradation Product

Common Name

English

Everolimus Ring-Opening Impurity

Preferred Name

English

(1S,4R,5E)-1-[(1R)-2-[(1S,3R,4R)-4-(2-Hydroxyethoxy)-3-methoxycyclohexyl]-1-methylethyl]-4,6-dimethyl-3,7-dioxo-5-hepten-1-yl (2S)-1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]tetrahydro-2-hydrox

Systematic Name

English

2-Piperidinecarboxylic acid, 1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]tetrahydro-2-hydroxy-3-methyl-2H-pyran-2-yl]-2-oxoacetyl]-, (1S,4R,5E)-1-[(1R)-2-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methox

Systematic Name

English

Code System Code Type Description

PUBCHEM

131668358

Created by admin on Wed Apr 02 13:36:15 GMT 2025 , Edited by admin on Wed Apr 02 13:36:15 GMT 2025

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CAS

1708118-13-1

Created by admin on Wed Apr 02 13:36:15 GMT 2025 , Edited by admin on Wed Apr 02 13:36:15 GMT 2025

PRIMARY

FDA UNII

H9H8BCZ5QW

Created by admin on Wed Apr 02 13:36:15 GMT 2025 , Edited by admin on Wed Apr 02 13:36:15 GMT 2025

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SUBSTANCE RECORD


					H9H8BCZ5QW

Everolimus Retroaldol Degradation Product