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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H50N8O3
Molecular Weight 618.8126
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Volasertib

SMILES

CC[C@H]1N(C(C)C)C2=C(C=NC(NC3=CC=C(C=C3OC)C(=O)N[C@H]4CC[C@@H](CC4)N5CCN(CC6CC6)CC5)=N2)N(C)C1=O

InChI

InChIKey=SXNJFOWDRLKDSF-STROYTFGSA-N
InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H50N8O3
Molecular Weight 618.8126
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:25:11 UTC 2023
Edited
by admin
on Fri Dec 15 17:25:11 UTC 2023
Record UNII
6EM57086EA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Volasertib
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
Volasertib [WHO-DD]
Common Name English
volasertib [INN]
Common Name English
VOLASERTIB [USAN]
Common Name English
N-{trans-4-[4-(Cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide
Common Name English
Benzamide, N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-
Common Name English
BI6727
Code English
BI-6727
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 415913
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
NCI_THESAURUS C1404
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
FDA ORPHAN DRUG 771420
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
NCI_THESAURUS C129825
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
EU-Orphan Drug EU/3/14/1255
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
Code System Code Type Description
EVMPD
SUB168429
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID901025694
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
PRIMARY
SMS_ID
100000158423
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
PRIMARY
ChEMBL
CHEMBL1233528
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
PRIMARY
FDA UNII
6EM57086EA
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
PRIMARY
USAN
YY-64
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
PRIMARY
NCI_THESAURUS
C79844
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
PRIMARY
WIKIPEDIA
VOLASERTIB
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
PRIMARY
CAS
755038-65-4
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
PRIMARY
DRUG BANK
DB12062
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
PRIMARY
INN
9228
Created by admin on Fri Dec 15 17:25:11 UTC 2023 , Edited by admin on Fri Dec 15 17:25:11 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY