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

Details

Stereochemistry ABSOLUTE
Molecular Formula C53H83NO14
Molecular Weight 958.2244
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 18-O-Hydroxyethyl sirolimus

SMILES

CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](OCCO)[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]1O

InChI

InChIKey=HZQABJKRHJGWLI-DXAYSYSDSA-N
InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-42(56)46(29-39)64-9)31-43(57)34(3)27-37(6)48(66-25-24-55)49(65-10)47(58)36(5)26-32/h11-13,16-17,27,32,34-36,38-42,44-46,48-49,55-56,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,42-,44+,45+,46-,48-,49+,53-/m1/s1

HIDE SMILES / InChI

Molecular Formula C53H83NO14
Molecular Weight 958.2244
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 Tue Apr 01 16:26:42 GMT 2025
Edited
by admin
on Tue Apr 01 16:26:42 GMT 2025
Record UNII
7WEX6VK69E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
18-O-Hydroxyethyl sirolimus
Common Name English
EVEROLIMUS IMPURITY D [EP IMPURITY]
Preferred Name English
Code System Code Type Description
CAS
2760174-96-5
Created by admin on Tue Apr 01 16:26:42 GMT 2025 , Edited by admin on Tue Apr 01 16:26:42 GMT 2025
PRIMARY
FDA UNII
7WEX6VK69E
Created by admin on Tue Apr 01 16:26:42 GMT 2025 , Edited by admin on Tue Apr 01 16:26:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY