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.[H][C@@]12CC(=C)[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

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
11beta-hydroxysteroid dehydrogenase types 1 and 2: an important pharmacokinetic determinant for the activity of synthetic mineralo- and glucocorticoids.
2002 Dec
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 Sep
Lethal acute respiratory distress syndrome during anti-TNF-alpha therapy for rheumatoid arthritis.
2006 May
Adalimumab for the treatment of fistulas in patients with Crohn's disease.
2009 Jul
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:53:22 GMT 2023
Edited
by admin
on Sat Dec 16 08:53:22 GMT 2023
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
Common 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 Sat Dec 16 08:53:22 GMT 2023 , Edited by admin on Sat Dec 16 08:53:22 GMT 2023
PRIMARY
CAS
22887-42-9
Created by admin on Sat Dec 16 08:53:22 GMT 2023 , Edited by admin on Sat Dec 16 08:53:22 GMT 2023
PRIMARY
MERCK INDEX
m1234
Created by admin on Sat Dec 16 08:53:22 GMT 2023 , Edited by admin on Sat Dec 16 08:53:22 GMT 2023
PRIMARY Merck Index
PUBCHEM
76958678
Created by admin on Sat Dec 16 08:53:22 GMT 2023 , Edited by admin on Sat Dec 16 08:53:22 GMT 2023
PRIMARY
FDA UNII
QZU7V4G1RX
Created by admin on Sat Dec 16 08:53:22 GMT 2023 , Edited by admin on Sat Dec 16 08:53:22 GMT 2023
PRIMARY