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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H31N5O4.C4H4O4
Molecular Weight 581.6169
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AZD-8055 FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.COC1=CC=C(C=C1CO)C2=NC3=NC(=NC(N4CCOC[C@@H]4C)=C3C=C2)N5CCOC[C@@H]5C

InChI

InChIKey=XVEFUQSJWHPIAS-PDMJLPKPSA-N
InChI=1S/C25H31N5O4.C4H4O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2;5-3(6)1-2-4(7)8/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t16-,17-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C25H31N5O4
Molecular Weight 465.5447
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:17:51 GMT 2023
Edited
by admin
on Fri Dec 15 18:17:51 GMT 2023
Record UNII
R339J08R6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-8055 FUMARATE
Common Name English
AZD8055 FUMARATE
Common Name English
BENZENEMETHANOL, 5-(2,4-BIS((3S)-3-METHYL-4-MORPHOLINYL)PYRIDO(2,3-D)PYRIMIDIN-7-YL)-2-METHOXY-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
44537932
Created by admin on Fri Dec 15 18:17:51 GMT 2023 , Edited by admin on Fri Dec 15 18:17:51 GMT 2023
PRIMARY
SMS_ID
300000038499
Created by admin on Fri Dec 15 18:17:51 GMT 2023 , Edited by admin on Fri Dec 15 18:17:51 GMT 2023
PRIMARY
CAS
1201799-05-4
Created by admin on Fri Dec 15 18:17:51 GMT 2023 , Edited by admin on Fri Dec 15 18:17:51 GMT 2023
PRIMARY
FDA UNII
R339J08R6U
Created by admin on Fri Dec 15 18:17:51 GMT 2023 , Edited by admin on Fri Dec 15 18:17:51 GMT 2023
PRIMARY
Related Record Type Details
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