U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H35N3O8.ClH
Molecular Weight 578.054
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TP-2758 hydrochloride

SMILES

Cl.CCN1CCC[C@H]1C2=C(OC)C3=C(C(O)=C2)C(=O)C4=C(O)[C@@]5(O)[C@@H](C[C@@H]4C3)[C@H](N(C)C)C(O)=C(C(N)=O)C5=O

InChI

InChIKey=JUSBQMAUTYAFEB-OKVNUIMQSA-N
InChI=1S/C28H35N3O8.ClH/c1-5-31-8-6-7-16(31)13-11-17(32)19-14(24(13)39-4)9-12-10-15-21(30(2)3)23(34)20(27(29)37)26(36)28(15,38)25(35)18(12)22(19)33;/h11-12,15-16,21,32,34-35,38H,5-10H2,1-4H3,(H2,29,37);1H/t12-,15-,16-,21-,28-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C28H35N3O8
Molecular Weight 541.5928
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:33:46 GMT 2025
Edited
by admin
on Wed Apr 02 14:33:46 GMT 2025
Record UNII
BTT4QAV5ST
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Naphthacenecarboxamide, 4-(dimethylamino)-8-[(2S)-1-ethyl-2-pyrrolidinyl]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-7-methoxy-1,11-dioxo-, hydrochloride (1:1), (4S,4aS,5aR,12aS)-
Preferred Name English
TP-2758 hydrochloride
Common Name English
Code System Code Type Description
FDA UNII
BTT4QAV5ST
Created by admin on Wed Apr 02 14:33:46 GMT 2025 , Edited by admin on Wed Apr 02 14:33:46 GMT 2025
PRIMARY
CAS
1359021-59-2
Created by admin on Wed Apr 02 14:33:46 GMT 2025 , Edited by admin on Wed Apr 02 14:33:46 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY