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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22N6O4S
Molecular Weight 370.4289
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AR-C133913XX

SMILES

CCCSc1nc(c2c(n1)n([C@]3([H])C[C@@]([H])([C@]([H])([C@@]3([H])O)O)OCCO)nn2)N

InChI

InChIKey=YTYBSYIHUFBLKV-YKDSUIRESA-N
InChI=1S/C14H22N6O4S/c1-2-5-25-14-16-12(15)9-13(17-14)20(19-18-9)7-6-8(24-4-3-21)11(23)10(7)22/h7-8,10-11,21-23H,2-6H2,1H3,(H2,15,16,17)/t7-,8+,10+,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H22N6O4S
Molecular Weight 370.4289
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:12:36 UTC 2021
Edited
by admin
on Fri Jun 25 23:12:36 UTC 2021
Record UNII
LNY396KYTZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AR-C133913XX
Common Name English
(1S,2S,3R,5S)-3-(7-AMINO-5-PROPYLSULFANYLTRIAZOLO(4,5-D)PYRIMIDIN-3-YL)-5-(2-HYDROXYETHOXY)CYCLOPENTANE-1,2-DIOL
Systematic Name English
AR-C 133913XX
Code English
TICAGRELOR METABOLITE M5
Common Name English
1,2-CYCLOPENTANEDIOL, 3-(7-AMINO-5-(PROPYLTHIO)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-3-YL)-5-(2-HYDROXYETHOXY)-, (1S,2S,3R,5S)-
Systematic Name English
Code System Code Type Description
FDA UNII
LNY396KYTZ
Created by admin on Fri Jun 25 23:12:36 UTC 2021 , Edited by admin on Fri Jun 25 23:12:36 UTC 2021
PRIMARY
PUBCHEM
78358176
Created by admin on Fri Jun 25 23:12:36 UTC 2021 , Edited by admin on Fri Jun 25 23:12:36 UTC 2021
PRIMARY
CAS
1251765-07-7
Created by admin on Fri Jun 25 23:12:36 UTC 2021 , Edited by admin on Fri Jun 25 23:12:36 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
URINE