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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22N6O4S
Molecular Weight 370.427
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AR-C133913XX

SMILES

CCCSC1=NC2=C(N=NN2[C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)C(N)=N1

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 370.427
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 Sat Dec 16 09:22:20 UTC 2023
Edited
by admin
on Sat Dec 16 09:22:20 UTC 2023
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 Sat Dec 16 09:22:21 UTC 2023 , Edited by admin on Sat Dec 16 09:22:21 UTC 2023
PRIMARY
PUBCHEM
78358176
Created by admin on Sat Dec 16 09:22:21 UTC 2023 , Edited by admin on Sat Dec 16 09:22:21 UTC 2023
PRIMARY
CAS
1251765-07-7
Created by admin on Sat Dec 16 09:22:20 UTC 2023 , Edited by admin on Sat Dec 16 09:22:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
URINE