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Details

Stereochemistry ABSOLUTE
Molecular Formula C52H81NO14
Molecular Weight 944.1978
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-O-DEMETHYL-42-O-(2-HYDROXYETHYL)RAPAMYCIN

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](O)C2)[C@H](C)C[C@@H]4CC[C@@H](OCCO)[C@@H](C4)OC

InChI

InChIKey=IENBGEQGDJTPQU-GIZKHTGYSA-N
InChI=1S/C52H81NO14/c1-31-15-11-10-12-16-32(2)41(55)29-39-20-18-37(7)52(62,67-39)49(59)50(60)53-22-14-13-17-40(53)51(61)66-44(34(4)27-38-19-21-43(65-24-23-54)45(28-38)63-8)30-42(56)33(3)26-36(6)47(58)48(64-9)46(57)35(5)25-31/h10-12,15-16,26,31,33-35,37-41,43-45,47-48,54-55,58,62H,13-14,17-25,27-30H2,1-9H3/b12-10+,15-11+,32-16+,36-26+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43-,44+,45-,47-,48+,52-/m1/s1

HIDE SMILES / InChI

Molecular Formula C52H81NO14
Molecular Weight 944.1978
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:15:17 UTC 2023
Edited
by admin
on Sat Dec 16 09:15:17 UTC 2023
Record UNII
ECI6WI7P2Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-O-DEMETHYL-42-O-(2-HYDROXYETHYL)RAPAMYCIN
Common Name English
16-O-DEMETHYL-SDZ RAD
Common Name English
16-O-DEMETHYL-EVEROLIMUS
Common Name English
RAPAMYCIN, 7-O-DEMETHYL-42-O-(2-HYDROXYETHYL)-
Common Name English
EVEROLIMUS 30-O-DESMETHYL IMPURITY
Common Name English
O-DESMETHYL EVEROLIMUS
Common Name English
Code System Code Type Description
PUBCHEM
9854474
Created by admin on Sat Dec 16 09:15:17 UTC 2023 , Edited by admin on Sat Dec 16 09:15:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID90861425
Created by admin on Sat Dec 16 09:15:17 UTC 2023 , Edited by admin on Sat Dec 16 09:15:17 UTC 2023
PRIMARY
FDA UNII
ECI6WI7P2Q
Created by admin on Sat Dec 16 09:15:17 UTC 2023 , Edited by admin on Sat Dec 16 09:15:17 UTC 2023
PRIMARY
CAS
745779-75-3
Created by admin on Sat Dec 16 09:15:17 UTC 2023 , Edited by admin on Sat Dec 16 09:15:17 UTC 2023
PRIMARY
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