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Details

Stereochemistry ABSOLUTE
Molecular Formula C52H79N5O12
Molecular Weight 966.21
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZOTAROLIMUS

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](C2)OC)[C@H](C)C[C@@H]4CC[C@@H]([C@@H](C4)OC)N5C=NN=N5

InChI

InChIKey=CGTADGCBEXYWNE-JUKNQOCSSA-N
InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-30-53-54-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1

HIDE SMILES / InChI

Molecular Formula C52H79N5O12
Molecular Weight 966.21
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 Fri Dec 15 16:02:06 UTC 2023
Edited
by admin
on Fri Dec 15 16:02:06 UTC 2023
Record UNII
H4GXR80IZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZOTAROLIMUS
INN   MART.   USAN   WHO-DD  
USAN   INN  
Official Name English
Zotarolimus [WHO-DD]
Common Name English
MDT-4107
Code English
ZOTAROLIMUS [MART.]
Common Name English
ZOTAROLIMUS [USAN]
Common Name English
ABT-578
Code English
zotarolimus [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C574
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
NCI_THESAURUS C2201
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
Code System Code Type Description
PUBCHEM
9876378
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
DRUG CENTRAL
2949
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
ChEMBL
CHEMBL1614661
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
CAS
221877-54-9
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
SMS_ID
100000124446
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID50873387
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
WIKIPEDIA
Zotarolimus
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
NCI_THESAURUS
C82294
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
EVMPD
SUB32090
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
USAN
QQ-84
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
FDA UNII
H4GXR80IZE
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
INN
8644
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
MESH
C489443
Created by admin on Fri Dec 15 16:02:06 UTC 2023 , Edited by admin on Fri Dec 15 16:02:06 UTC 2023
PRIMARY
Related Record Type Details
TARGET->LIGAND
Related Record Type Details
ACTIVE MOIETY