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

Details

Stereochemistry ABSOLUTE
Molecular Formula C50H77NO13
Molecular Weight 900.1453
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NOVOLIMUS

SMILES

[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N3CCCC[C@@]3([H])C(=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](O)[C@@H](C4)OC

InChI

InChIKey=ZHYGVVKSAGDVDY-QQQXYHJWSA-N
InChI=1S/C50H77NO13/c1-29-15-11-10-12-16-30(2)40(53)27-37-20-18-35(7)50(60,64-37)47(57)48(58)51-22-14-13-17-38(51)49(59)63-42(32(4)25-36-19-21-39(52)43(26-36)61-8)28-41(54)31(3)24-34(6)45(56)46(62-9)44(55)33(5)23-29/h10-12,15-16,24,29,31-33,35-40,42-43,45-46,52-53,56,60H,13-14,17-23,25-28H2,1-9H3/b12-10+,15-11+,30-16+,34-24+/t29-,31-,32-,33-,35-,36+,37+,38+,39-,40+,42+,43-,45-,46+,50-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NOVOLIMUS
Common Name English
CJ-12263
Common Name English
N-929-89B
Common Name English
16-O-DEMETHYLRAPAMYCIN
Common Name English
RAPAMYCIN, 7-O-DEMETHYL-
Common Name English
16-O-DEMETHYLSIROLIMUS
Common Name English
7-O-DEMETHYLRAPAMYCIN
Common Name English
7-O-DEMETHYLSIROLIMUS
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10431785
Created by admin on Sat Dec 16 13:48:07 GMT 2023 , Edited by admin on Sat Dec 16 13:48:07 GMT 2023
PRIMARY
FDA UNII
2719UAHUA8
Created by admin on Sat Dec 16 13:48:07 GMT 2023 , Edited by admin on Sat Dec 16 13:48:07 GMT 2023
PRIMARY
PUBCHEM
9854320
Created by admin on Sat Dec 16 13:48:07 GMT 2023 , Edited by admin on Sat Dec 16 13:48:07 GMT 2023
PRIMARY
CAS
151519-50-5
Created by admin on Sat Dec 16 13:48:07 GMT 2023 , Edited by admin on Sat Dec 16 13:48:07 GMT 2023
PRIMARY