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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H35NO9
Molecular Weight 541.5895
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NCX-1022

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C5=CC=C(CO[N+]([O-])=O)C=C5

InChI

InChIKey=UBANCVOKRLKBGJ-KGWLDMEJSA-N
InChI=1S/C29H35NO9/c1-27-11-9-20(31)13-19(27)7-8-21-22-10-12-29(35,28(22,2)14-23(32)25(21)27)24(33)16-38-26(34)18-5-3-17(4-6-18)15-39-30(36)37/h3-6,13,21-23,25,32,35H,7-12,14-16H2,1-2H3/t21-,22-,23-,25+,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H35NO9
Molecular Weight 541.5895
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:58:07 GMT 2025
Edited
by admin
on Wed Apr 02 12:58:07 GMT 2025
Record UNII
XY2WH7X5M5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NCX-1022
Code English
PREGN-4-ENE-3,20-DIONE, 11,17-DIHYDROXY-21-((4-((NITROOXY)METHYL)BENZOYL)OXY)-, (11.BETA.)-
Preferred Name English
NCX1022
Code English
(11.BETA.)-11,17-DIHYDROXY-21-((4-((NITROOXY)METHYL)BENZOYL)OXY)PREGN-4-ENE-3,20-DIONE
Systematic Name English
(2-((8S,9S,10R,11S,13S,14S,17R)-11,17-DIHYDROXY-10,13-DIMETHYL-3-OXO-2,6,7,8,9,11,12,14,15,16-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)-2-OXOETHYL) 3-(NITROOXYMETHYL)BENZOATE
Systematic Name English
NO-HYDROCORTISONE
Common Name English
Code System Code Type Description
CAS
571186-50-0
Created by admin on Wed Apr 02 12:58:07 GMT 2025 , Edited by admin on Wed Apr 02 12:58:07 GMT 2025
PRIMARY
PUBCHEM
90473867
Created by admin on Wed Apr 02 12:58:07 GMT 2025 , Edited by admin on Wed Apr 02 12:58:07 GMT 2025
PRIMARY
FDA UNII
XY2WH7X5M5
Created by admin on Wed Apr 02 12:58:07 GMT 2025 , Edited by admin on Wed Apr 02 12:58:07 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY