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Details

Stereochemistry ACHIRAL
Molecular Formula 2C26H27FN4O5S.C4H4O4
Molecular Weight 1169.232
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Roginolisib hemifumarate

SMILES

OC(=O)\C=C\C(O)=O.FC1=CC=CC2=C1S(=O)(=O)CC3=C2N(N=C3C(=O)N4CCOCC4)C5=CC=C(CN6CCOCC6)C=C5.FC7=CC=CC8=C7S(=O)(=O)CC9=C8N(N=C9C(=O)N%10CCOCC%10)C%11=CC=C(CN%12CCOCC%12)C=C%11

InChI

InChIKey=GSMZEFQGEJPDES-WXXKFALUSA-N
InChI=1S/2C26H27FN4O5S.C4H4O4/c2*27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-6-4-18(5-7-19)16-29-8-12-35-13-9-29;5-3(6)1-2-4(7)8/h2*1-7H,8-17H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C26H27FN4O5S
Molecular Weight 526.58
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:45:10 UTC 2023
Edited
by admin
on Sat Dec 16 18:45:10 UTC 2023
Record UNII
W8JCY5F7F3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Roginolisib hemifumarate
Common Name English
MSC-2360844 hemifumarate
Code English
Methanone, [6-fluoro-1,4-dihydro-1-[4-(4-morpholinylmethyl)phenyl]-5,5-dioxido[1]benzothiopyrano[4,3-c]pyrazol-3-yl]-4-morpholinyl-, (2E)-2-butenedioate (2:1)
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 908222
Created by admin on Sat Dec 16 18:45:10 UTC 2023 , Edited by admin on Sat Dec 16 18:45:10 UTC 2023
Code System Code Type Description
CAS
1621688-31-0
Created by admin on Sat Dec 16 18:45:10 UTC 2023 , Edited by admin on Sat Dec 16 18:45:10 UTC 2023
PRIMARY
FDA UNII
W8JCY5F7F3
Created by admin on Sat Dec 16 18:45:10 UTC 2023 , Edited by admin on Sat Dec 16 18:45:10 UTC 2023
PRIMARY
PUBCHEM
77050629
Created by admin on Sat Dec 16 18:45:10 UTC 2023 , Edited by admin on Sat Dec 16 18:45:10 UTC 2023
PRIMARY
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