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

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H39NO11
Molecular Weight 649.6843
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SIBOFIMLOC

SMILES

[H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C#CC2=CC=C3C4=CC=C(C=C4C5(CCN(CC5)C(C)=O)C3=C2)C#C[C@@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O

InChI

InChIKey=SFHMWDMKUYVSQJ-VECBPBMLSA-N
InChI=1S/C35H39NO11/c1-18(39)36-12-10-35(11-13-36)23-14-19(4-8-25-29(40)33(44)31(42)27(16-37)46-25)2-6-21(23)22-7-3-20(15-24(22)35)5-9-26-30(41)34(45)32(43)28(17-38)47-26/h2-3,6-7,14-15,25-34,37-38,40-45H,10-13,16-17H2,1H3/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H39NO11
Molecular Weight 649.6843
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:24:24 GMT 2023
Edited
by admin
on Sat Dec 16 14:24:24 GMT 2023
Record UNII
00OF00QZC4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SIBOFIMLOC
INN  
Official Name English
EB-8018
Code English
sibofimloc [INN]
Common Name English
TAK-018
Code English
SIBOFIMLOC [USAN]
Common Name English
VRT-1353385
Code English
D-GLYCERO-D-MANNO-OCT-7-YNITOL, 8,8'-(1'-ACETYLSPIRO(9H-FLUORENE-9,4'-PIPERIDINE)-2,7-DIYL)BIS(2,6-ANHYDRO-7,8-DIDEOXY-
Systematic Name English
1-(2,7-BIS(2,6-ANHYDRO-7,8-DIDEOXY-D-GLYCERO-D-MANNO-OCT-7-YNITOL-8-YL)SPIRO(FLUORENE-9,4'-PIPERIDIN)-1'-YL)ETHAN-1-ONE
Systematic Name English
8,8'-(1'-ACETYLSPIRO(9H-FLUORENE-9,4'-PIPERIDINE)-2,7-DIYL)BIS(2,6-ANHYDRO-7,8-DIDEOXY-D-GLYCERO-D-MANNO-OCT-7-YNITOL)
Common Name English
EB8018
Code English
TAK018
Code English
Code System Code Type Description
PUBCHEM
76684239
Created by admin on Sat Dec 16 14:24:24 GMT 2023 , Edited by admin on Sat Dec 16 14:24:24 GMT 2023
PRIMARY
CAS
1616113-45-1
Created by admin on Sat Dec 16 14:24:24 GMT 2023 , Edited by admin on Sat Dec 16 14:24:24 GMT 2023
PRIMARY
INN
10950
Created by admin on Sat Dec 16 14:24:24 GMT 2023 , Edited by admin on Sat Dec 16 14:24:24 GMT 2023
PRIMARY
FDA UNII
00OF00QZC4
Created by admin on Sat Dec 16 14:24:24 GMT 2023 , Edited by admin on Sat Dec 16 14:24:24 GMT 2023
PRIMARY
USAN
HI-88
Created by admin on Sat Dec 16 14:24:24 GMT 2023 , Edited by admin on Sat Dec 16 14:24:24 GMT 2023
PRIMARY
NCI_THESAURUS
C171697
Created by admin on Sat Dec 16 14:24:24 GMT 2023 , Edited by admin on Sat Dec 16 14:24:24 GMT 2023
PRIMARY
SMS_ID
300000005952
Created by admin on Sat Dec 16 14:24:24 GMT 2023 , Edited by admin on Sat Dec 16 14:24:24 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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