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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H39NO6.ClH
Molecular Weight 522.073
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREDNYLIDENE 21-DIETHYLAMINOACETATE HYDROCHLORIDE

SMILES

Cl.CCN(CC)CC(=O)OCC(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

InChI

InChIKey=CCXTYBZGIOXYJL-DYBIKGQXSA-N
InChI=1S/C28H39NO6.ClH/c1-6-29(7-2)15-24(33)35-16-23(32)28(34)17(3)12-21-20-9-8-18-13-19(30)10-11-26(18,4)25(20)22(31)14-27(21,28)5;/h10-11,13,20-22,25,31,34H,3,6-9,12,14-16H2,1-2,4-5H3;1H/t20-,21-,22-,25+,26-,27-,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 C28H39NO6
Molecular Weight 485.6124
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

PubMed

PubMed

TitleDatePubMed
Adalimumab for the treatment of fistulas in patients with Crohn's disease.
2009-07
Lethal acute respiratory distress syndrome during anti-TNF-alpha therapy for rheumatoid arthritis.
2006-05
Transactivation via the human glucocorticoid and mineralocorticoid receptor by therapeutically used steroids in CV-1 cells: a comparison of their glucocorticoid and mineralocorticoid properties.
2004-09
11beta-hydroxysteroid dehydrogenase types 1 and 2: an important pharmacokinetic determinant for the activity of synthetic mineralo- and glucocorticoids.
2002-12
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:21:52 GMT 2025
Edited
by admin
on Mon Mar 31 22:21:52 GMT 2025
Record UNII
QZU7V4G1RX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREDNYLIDENE 21-DIETHYLAMINOACETATE HYDROCHLORIDE
MI  
Common Name English
16-METHYLENEPREDNISOLONE-21-DIETHYLAMINOACETATE HYDROCHLORIDE
Preferred Name English
PREDNYLIDENE 21-DIETHYLAMINOACETATE HYDROCHLORIDE [MI]
Common Name English
GLYCINE, N,N-DIETHYL-, (11.BETA.)-11,17-DIHYDROXY-16-METHYLENE-3,20-DIOXOPREGNA-1,4-DIEN-21-YL ESTER, HYDROCHLORIDE
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
245-299-0
Created by admin on Mon Mar 31 22:21:52 GMT 2025 , Edited by admin on Mon Mar 31 22:21:52 GMT 2025
PRIMARY
CAS
22887-42-9
Created by admin on Mon Mar 31 22:21:52 GMT 2025 , Edited by admin on Mon Mar 31 22:21:52 GMT 2025
PRIMARY
MERCK INDEX
m1234
Created by admin on Mon Mar 31 22:21:52 GMT 2025 , Edited by admin on Mon Mar 31 22:21:52 GMT 2025
PRIMARY Merck Index
PUBCHEM
76958678
Created by admin on Mon Mar 31 22:21:52 GMT 2025 , Edited by admin on Mon Mar 31 22:21:52 GMT 2025
PRIMARY
FDA UNII
QZU7V4G1RX
Created by admin on Mon Mar 31 22:21:52 GMT 2025 , Edited by admin on Mon Mar 31 22:21:52 GMT 2025
PRIMARY