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Details

Stereochemistry ACHIRAL
Molecular Formula C15H18Br2N4O2.ClH
Molecular Weight 482.598
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dapolsertib hydrochloride

SMILES

Cl.CC(C)N1C(=NC2=C(C(Br)=C(Br)C=C12)[N+]([O-])=O)C3CCNCC3

InChI

InChIKey=KQKOTVOYBRIGIT-UHFFFAOYSA-N
InChI=1S/C15H18Br2N4O2.ClH/c1-8(2)20-11-7-10(16)12(17)14(21(22)23)13(11)19-15(20)9-3-5-18-6-4-9;/h7-9,18H,3-6H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C15H18Br2N4O2
Molecular Weight 446.137
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
1Z0H0278DB
Record Status Validated (UNII)
Record Version