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Details

Stereochemistry EPIMERIC
Molecular Formula C56H87NO17
Molecular Weight 1046.2886
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 35-HYDROXYL TEMSIROLIMUS

SMILES

C/C/1=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\[C@@]([H])(C)C([H])([C@@]([H])(C)C(=O)[C@@]([H])([C@@]([H])(/C(=C(\[H])/[C@@]([H])(C)C(=O)C[C@@]([H])([C@]([H])(C)C[C@]2([H])CC[C@]([H])([C@@]([H])(C2)OC)OC(=O)C(C)(CO)CO)OC(=O)[C@]3([H])CCCCN3C(=O)C(=O)[C@]4([C@]([H])(C)CC[C@@]([H])(C[C@]1([H])OC)O4)O)/C)O)OC)O

InChI

InChIKey=KQIFNDFOEYDKSI-FBQKAEJRSA-N
InChI=1S/C56H87NO17/c1-32-17-13-12-14-18-33(2)47(61)38(7)49(63)50(71-11)48(62)36(5)25-34(3)42(60)29-45(35(4)26-39-21-23-43(46(27-39)70-10)73-54(67)55(8,30-58)31-59)72-53(66)41-19-15-16-24-57(41)52(65)51(64)56(68)37(6)20-22-40(74-56)28-44(32)69-9/h12-14,17-18,25,33-35,37-41,43-48,50,58-59,61-62,68H,15-16,19-24,26-31H2,1-11H3/b13-12+,18-14+,32-17+,36-25+/t33-,34-,35-,37-,38-,39+,40+,41+,43-,44+,45+,46-,47?,48-,50-,56-/m1/s1

HIDE SMILES / InChI

Molecular Formula C56H87NO17
Molecular Weight 1046.2886
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 15 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:29:11 UTC 2021
Edited
by admin
on Sat Jun 26 09:29:11 UTC 2021
Record UNII
7D8AE6F258
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
35-HYDROXYL TEMSIROLIMUS
Common Name English
RAPAMYCIN, 35-HYDROXY-, 42-(3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYLPROPANOATE)
Systematic Name English
TEMSIROLIMUS METABOLITE M9
Common Name English
Code System Code Type Description
PUBCHEM
25031265
Created by admin on Sat Jun 26 09:29:11 UTC 2021 , Edited by admin on Sat Jun 26 09:29:11 UTC 2021
PRIMARY
CAS
876060-66-1
Created by admin on Sat Jun 26 09:29:11 UTC 2021 , Edited by admin on Sat Jun 26 09:29:11 UTC 2021
PRIMARY
FDA UNII
7D8AE6F258
Created by admin on Sat Jun 26 09:29:11 UTC 2021 , Edited by admin on Sat Jun 26 09:29:11 UTC 2021
PRIMARY
Related Record Type Details
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