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Details

Stereochemistry ACHIRAL
Molecular Formula C28H30F2N6.C4H4O4
Molecular Weight 604.647
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Crozbaciclib fumarate

SMILES

OC(=O)\C=C\C(O)=O.CN1CCC(CC1)C2=CN=C(NC3=NC(C4=CC5=C(N=C(C)C56CCCC6)C(F)=C4)=C(F)C=N3)C=C2

InChI

InChIKey=DJHWABVQPGVLAK-WLHGVMLRSA-N
InChI=1S/C28H30F2N6.C4H4O4/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18;5-3(6)1-2-4(7)8/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35);1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C28H30F2N6
Molecular Weight 488.5748
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:34:01 GMT 2023
Edited
by admin
on Sat Dec 16 15:34:01 GMT 2023
Record UNII
EA0UN3NLN3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Crozbaciclib fumarate
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 760620
Created by admin on Sat Dec 16 15:34:01 GMT 2023 , Edited by admin on Sat Dec 16 15:34:01 GMT 2023
Code System Code Type Description
FDA UNII
EA0UN3NLN3
Created by admin on Sat Dec 16 15:34:01 GMT 2023 , Edited by admin on Sat Dec 16 15:34:01 GMT 2023
PRIMARY
PUBCHEM
168265376
Created by admin on Sat Dec 16 15:34:01 GMT 2023 , Edited by admin on Sat Dec 16 15:34:01 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY