11.ALPHA.,17,21-TRIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H30O5
Molecular Weight	374.4706
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 11.ALPHA.,17,21-TRIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE

SMILES

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

InChI

InChIKey=WNYLPFCKNQAAMB-OWUXUVPTSA-N

InChI=1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17+,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H30O5
Molecular Weight	374.4706
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	42T3SU12QH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

11.ALPHA.,17,21-TRIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE

Systematic Name

English

BETAMETHASONE IMPURITY G [EP IMPURITY]

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 11,17,21-TRIHYDROXY-16-METHYL-, (11.ALPHA.,16.BETA.)-

Systematic Name

English

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Code System

Code

Type

Description

PUBCHEM

10959713

PRIMARY

EPA CompTox

DTXSID10234990

PRIMARY

CAS

85700-75-0

PRIMARY

FDA UNII

42T3SU12QH

PRIMARY

ECHA (EC/EINECS)

288-238-3

PRIMARY

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Related Record

Type

Details


					9842X06Q6M

BETAMETHASONE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

WEIGHT PERCENT [<1] % (limits)
peak value

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