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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H39NO6
Molecular Weight 485.6124
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREDNYLIDENE 21-DIETHYLAMINOACETATE

SMILES

[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=IFXNTPMREPCLFJ-SLPNHVECSA-N
InChI=1S/C28H39NO6/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/t20-,21-,22-,25+,26-,27-,28-/m0/s1

HIDE SMILES / InChI
PubMed

PubMed

TitleDatePubMed
Adalimumab for the treatment of fistulas in patients with Crohn's disease.
2009 Jul
Patents
Name Type Language
PREDNYLIDENE 21-DIETHYLAMINOACETATE
Common Name English
PREDNYLIDENE DIETHYLAMINOACETATE
Common Name English
GLYCINE, N,N-DIETHYL-, 21-ESTER WITH 11.BETA.,17,21-TRIHYDROXY-16-METHYLENEPREGNA-1,4-DIENE-3,20-DIONE
Common Name English
METHYLENEPREDNISOLONE DIETHYLAMINOACETATE
Common Name English
GLYCINE, N,N-DIETHYL-, (11.BETA.)-11,17-DIHYDROXY-16-METHYLENE-3,20-DIOXOPREGNA-1,4-DIEN-21-YL ESTER
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-16-METHYLENE-, 21-ESTER WITH N,N-DIETHYLGLYCINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID501024444
Created by admin on Sat Dec 16 09:06:06 GMT 2023 , Edited by admin on Sat Dec 16 09:06:06 GMT 2023
PRIMARY
PUBCHEM
11496774
Created by admin on Sat Dec 16 09:06:06 GMT 2023 , Edited by admin on Sat Dec 16 09:06:06 GMT 2023
PRIMARY
CAS
6890-42-2
Created by admin on Sat Dec 16 09:06:06 GMT 2023 , Edited by admin on Sat Dec 16 09:06:06 GMT 2023
PRIMARY
FDA UNII
4MII3X430X
Created by admin on Sat Dec 16 09:06:06 GMT 2023 , Edited by admin on Sat Dec 16 09:06:06 GMT 2023
PRIMARY