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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26N6O
Molecular Weight 354.4493
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SELICICLIB

SMILES

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

InChI

InChIKey=BTIHMVBBUGXLCJ-OAHLLOKOSA-N
InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1

HIDE SMILES / InChI
Molecular Formula C19H26N6O
Molecular Weight 354.4493
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:27:26 UTC 2023
Edited
by admin
on Sat Dec 16 17:27:26 UTC 2023
Record UNII
0ES1C2KQ94
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SELICICLIB
INN   MI   WHO-DD  
INN  
Official Name English
AL-39256
Code English
SELICICLIB [MI]
Common Name English
R-ROSCOVITINE
Common Name English
Seliciclib [WHO-DD]
Common Name English
CYC-202
Code English
(2R)-2-((6-BENZYLAMINO-9-(PROPAN-2-YL)-9H-PURIN-2-YL)AMINO)BUTAN-1-OL
Systematic Name English
seliciclib [INN]
Common Name English
ROSCOVITINE
Common Name English
NSC-701554
Code English
ROSCOVITIN
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2185
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
Code System Code Type Description
INN
8546
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID20171928
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
EVMPD
SUB185009
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
NCI_THESAURUS
C62783
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
MERCK INDEX
m9849
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY Merck Index
CAS
186692-46-6
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
PUBCHEM
160355
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL14762
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
FDA UNII
0ES1C2KQ94
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
CHEBI
45307
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
WIKIPEDIA
SELICICLIB
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
SMS_ID
100000170830
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
NSC
701554
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
DRUG BANK
DB06195
Created by admin on Sat Dec 16 17:27:28 UTC 2023 , Edited by admin on Sat Dec 16 17:27:28 UTC 2023
PRIMARY
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Related Record Type Details
Structure of 7,9-DIHYDRO-2-(((1R)-1-(HYDROXYMETHYL)PROPYL)AMINO)-9-(1-METHYLETHYL)-6-((PHENYLMETHYL)AMINO)-8H-PURIN-8-ONE
METABOLITE -> PARENT
Structure of ROSCOVITINE CARBOXYLIC ACID
METABOLITE -> PARENT
Structure of 9-(1-METHYLETHYL)-N6-(PHENYLMETHYL)-9H-PURINE-2,6-DIAMINE
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IN VITRO
Structure of (2R)-2-((6-((PHENYLMETHYL)AMINO)-9H-PURIN-2-YL)AMINO)-1-BUTANOL
METABOLITE -> PARENT
Related Record Type Details
Structure of SELICICLIB
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