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

Details

Stereochemistry ABSOLUTE
Molecular Formula C59H97NO14Si
Molecular Weight 1072.4853
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Rapamycin 42-[2-(tert-butyldimethylsilyloxy)ethyl] ether

SMILES

CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=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](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OCCO[Si](C)(C)C(C)(C)C

InChI

InChIKey=OCAIMYVVCQFDKI-JFPHMNFRSA-N
InChI=1S/C59H97NO14Si/c1-37-21-17-16-18-22-38(2)49(68-11)35-45-26-24-43(7)59(67,74-45)55(64)56(65)60-28-20-19-23-46(60)57(66)73-50(36-47(61)39(3)32-42(6)53(63)54(70-13)52(62)41(5)31-37)40(4)33-44-25-27-48(51(34-44)69-12)71-29-30-72-75(14,15)58(8,9)10/h16-18,21-22,32,37,39-41,43-46,48-51,53-54,63,67H,19-20,23-31,33-36H2,1-15H3/b18-16+,21-17+,38-22+,42-32+/t37-,39-,40-,41-,43-,44+,45+,46+,48-,49+,50+,51-,53-,54+,59-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine, rapamycin deriv.
Preferred Name English
Rapamycin 42-[2-(tert-butyldimethylsilyloxy)ethyl] ether
Systematic Name English
42-O-[2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]rapamycin
Systematic Name English
Rapamycin, 42-O-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-
Systematic Name English
40-O-[2-(t-Butyldimethylsilyl)oxy]ethyl]rapamycin
Systematic Name English
Code System Code Type Description
PUBCHEM
71608050
Created by admin on Wed Apr 02 17:51:03 GMT 2025 , Edited by admin on Wed Apr 02 17:51:03 GMT 2025
PRIMARY
CAS
159351-68-5
Created by admin on Wed Apr 02 17:51:03 GMT 2025 , Edited by admin on Wed Apr 02 17:51:03 GMT 2025
PRIMARY
FDA UNII
RYJ25C7APX
Created by admin on Wed Apr 02 17:51:03 GMT 2025 , Edited by admin on Wed Apr 02 17:51:03 GMT 2025
PRIMARY