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Details

Stereochemistry EPIMERIC
Molecular Formula C33H39NO10
Molecular Weight 609.6635
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TPI-1020

SMILES

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)C6=CC=C(CO[N+]([O-])=O)C=C6

InChI

InChIKey=SYBXBIHWNMPDPT-PBCNJCODSA-N
InChI=1S/C33H39NO10/c1-4-5-28-43-27-15-24-23-11-10-21-14-22(35)12-13-31(21,2)29(23)25(36)16-32(24,3)33(27,44-28)26(37)18-41-30(38)20-8-6-19(7-9-20)17-42-34(39)40/h6-9,12-14,23-25,27-29,36H,4-5,10-11,15-18H2,1-3H3/t23-,24-,25-,27+,28?,29+,31-,32-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H39NO10
Molecular Weight 609.6635
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:14:00 GMT 2025
Edited
by admin
on Wed Apr 02 18:14:00 GMT 2025
Record UNII
DS73SAB4FB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TPI-1020
Code English
NCX 1020
Preferred Name English
Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11-hydroxy-21-[[4-[(nitrooxy)methyl]benzoyl]oxy]-, (11?,16?)-
Common Name English
NCX-1020
Code English
(11?,16?)-16,17-[Butylidenebis(oxy)]-11-hydroxy-21-[[4-[(nitrooxy)methyl]benzoyl]oxy]pregna-1,4-diene-3,20-dione
Common Name English
Code System Code Type Description
CAS
571186-52-2
Created by admin on Wed Apr 02 18:14:00 GMT 2025 , Edited by admin on Wed Apr 02 18:14:00 GMT 2025
PRIMARY
FDA UNII
DS73SAB4FB
Created by admin on Wed Apr 02 18:14:00 GMT 2025 , Edited by admin on Wed Apr 02 18:14:00 GMT 2025
PRIMARY
PUBCHEM
9830329
Created by admin on Wed Apr 02 18:14:00 GMT 2025 , Edited by admin on Wed Apr 02 18:14:00 GMT 2025
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
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