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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24N6O2
Molecular Weight 368.4329
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROSCOVITINE CARBOXYLIC ACID

SMILES

CC[C@@H](NC1=NC2=C(N=CN2C(C)C)C(NCC3=CC=CC=C3)=N1)C(O)=O

InChI

InChIKey=MZLAEKOAINERGI-CQSZACIVSA-N
InChI=1S/C19H24N6O2/c1-4-14(18(26)27)22-19-23-16(20-10-13-8-6-5-7-9-13)15-17(24-19)25(11-21-15)12(2)3/h5-9,11-12,14H,4,10H2,1-3H3,(H,26,27)(H2,20,22,23,24)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H24N6O2
Molecular Weight 368.4329
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:58:39 GMT 2025
Edited
by admin
on Wed Apr 02 07:58:39 GMT 2025
Record UNII
U78UW8Q3QQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROSCOVITINE CARBOXYLIC ACID
Common Name English
(2R)-2-((9-(1-METHYLETHYL)-6-((PHENYLMETHYL)AMINO)-9H-PURIN-2-YL)AMINO)BUTANOIC ACID
Preferred Name English
BUTANOIC ACID, 2-((9-(1-METHYLETHYL)-6-((PHENYLMETHYL)AMINO)-9H-PURIN-2-YL)AMINO)-, (2R)-
Systematic Name English
Code System Code Type Description
CAS
482615-12-3
Created by admin on Wed Apr 02 07:58:39 GMT 2025 , Edited by admin on Wed Apr 02 07:58:39 GMT 2025
PRIMARY
PUBCHEM
3013831
Created by admin on Wed Apr 02 07:58:39 GMT 2025 , Edited by admin on Wed Apr 02 07:58:39 GMT 2025
PRIMARY
FDA UNII
U78UW8Q3QQ
Created by admin on Wed Apr 02 07:58:39 GMT 2025 , Edited by admin on Wed Apr 02 07:58:39 GMT 2025
PRIMARY
Related Record Type Details
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