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Details

Stereochemistry ACHIRAL
Molecular Formula C20H28N4O2
Molecular Weight 356.4619
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROLOFYLLINE

SMILES

CCCN1C2=C(NC(=N2)C34C[C@@H]5CC3C[C@H](C4)C5)C(=O)N(CCC)C1=O

InChI

InChIKey=PJBFVWGQFLYWCB-QUYAXPHCSA-N
InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)/t12-,13+,14?,20?

HIDE SMILES / InChI
Molecular Formula C20H28N4O2
Molecular Weight 356.4619
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 2 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:56:48 UTC 2023
Edited
by admin
on Fri Dec 15 15:56:48 UTC 2023
Record UNII
7805S5HIHX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROLOFYLLINE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
KW3902
Code English
rolofylline [INN]
Common Name English
KW-3902
Code English
Rolofylline [WHO-DD]
Common Name English
MK-7418
Code English
3,7-DIHYDRO-1,3-DIPROPYL-8-(3-TRICYCLO(3.3.1.0(SUP 3,7))NONYL)-1H-PURINE-2,6-DIONE
Systematic Name English
1,3-DIPROPYL-8-(TRICYCLO(3.3.1.0(SUP 3,7))NON-3-YL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Systematic Name English
ROLOFYLLINE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C319
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID50929292
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
PRIMARY
NCI_THESAURUS
C96195
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
PRIMARY
WIKIPEDIA
Rolofylline
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
PRIMARY
INN
8923
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
PRIMARY
USAN
TT-26
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
PRIMARY
SMS_ID
100000175772
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
PRIMARY
CAS
136199-02-5
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
PRIMARY
DRUG BANK
DB12670
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
PRIMARY
ChEMBL
CHEMBL2103819
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
PRIMARY
FDA UNII
7805S5HIHX
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
PRIMARY
PUBCHEM
11948288
Created by admin on Fri Dec 15 15:56:48 UTC 2023 , Edited by admin on Fri Dec 15 15:56:48 UTC 2023
PRIMARY
Related Record Type Details
ADENOSINE RECEPTOR A1
TARGET -> INHIBITOR
OAT-4
TRANSPORTER -> INHIBITOR
Related Record Type Details
Structure of ROLOFYLLINE
ACTIVE MOIETY
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