17,21-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4,9(11)-TRIENE-3,20-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28O4
Molecular Weight	356.4553
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 17,21-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4,9(11)-TRIENE-3,20-DIONE

Structure Search

SMILES

[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)CC=C3[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=ZYTXTXAMMDTYDQ-AKXKBWEISA-N

InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16+,18-,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H28O4
Molecular Weight	356.4553
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
regulation of NIK/NF-kappaB signaling 2 Target ID: GO:1901222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23498916	Inhibitor 8297		0.0623 µM [EC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:34:15 GMT 2023` Edited by `admin` on `Sat Dec 16 07:34:15 GMT 2023`
Record UNII	EIU1L09AID
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

17,21-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4,9(11)-TRIENE-3,20-DIONE

Systematic Name

English

PREGNA-1,4,9(11)-TRIENE-3,20-DIONE, 17,21-DIHYDROXY-16-METHYL-, (16.BETA.)-

Systematic Name

English

BETAMETHASONE IMPURITY C [EP IMPURITY]

Common Name

English

PREGNA-1,4,9(11)-TRIENE-3,20-DIONE, 17,21-DIHYDROXY-16.BETA.-METHYL-

Systematic Name

English

Code System Code Type Description

CAS

13504-15-9