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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

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(CCC)O2)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

Approval Year

Name Type Language
TPI-1020
Code English
Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11-hydroxy-21-[[4-[(nitrooxy)methyl]benzoyl]oxy]-, (11β,16α)-
Common Name English
NCX-1020
Code English
NCX 1020
Code English
(11β,16α)-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 Sat Dec 16 20:06:59 GMT 2023 , Edited by admin on Sat Dec 16 20:06:59 GMT 2023
PRIMARY
FDA UNII
DS73SAB4FB
Created by admin on Sat Dec 16 20:06:59 GMT 2023 , Edited by admin on Sat Dec 16 20:06:59 GMT 2023
PRIMARY
PUBCHEM
9830329
Created by admin on Sat Dec 16 20:06:59 GMT 2023 , Edited by admin on Sat Dec 16 20:06:59 GMT 2023
PRIMARY