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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36N2O7.2ClH
Molecular Weight 585.517
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOP-53 DIHYDROCHLORIDE

SMILES

Cl.Cl.[H][C@]12COC(=O)[C@]1([H])[C@H](C3=CC(OC)=C(O)C(OC)=C3)C4=C(C=C5OCOC5=C4)[C@H]2CCN(C)CCN(C)C

InChI

InChIKey=AOGFGBUUQUKBHV-LICKGGAWSA-N
InChI=1S/C28H36N2O7.2ClH/c1-29(2)8-9-30(3)7-6-17-18-12-21-22(37-15-36-21)13-19(18)25(26-20(17)14-35-28(26)32)16-10-23(33-4)27(31)24(11-16)34-5;;/h10-13,17,20,25-26,31H,6-9,14-15H2,1-5H3;2*1H/t17-,20-,25-,26+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C28H36N2O7
Molecular Weight 512.5946
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
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 11:13:28 GMT 2023
Edited
by admin
on Sat Dec 16 11:13:28 GMT 2023
Record UNII
R5GM3ZVR4Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOP-53 DIHYDROCHLORIDE
Common Name English
FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 9-(2-((2-(DIMETHYLAMINO)ETHYL)METHYLAMINO)ETHYL)-5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, DIHYDROCHLORIDE, (5R-(5.ALPHA.,5A.BETA.,8A.ALPHA.,9.BETA.))-
Systematic Name English
TOP-53 DICHLORIDE SALT
Common Name English
Code System Code Type Description
PUBCHEM
6918225
Created by admin on Sat Dec 16 11:13:28 GMT 2023 , Edited by admin on Sat Dec 16 11:13:28 GMT 2023
PRIMARY
FDA UNII
R5GM3ZVR4Q
Created by admin on Sat Dec 16 11:13:28 GMT 2023 , Edited by admin on Sat Dec 16 11:13:28 GMT 2023
PRIMARY
CAS
147238-98-0
Created by admin on Sat Dec 16 11:13:28 GMT 2023 , Edited by admin on Sat Dec 16 11:13:28 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY