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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O5
Molecular Weight 372.4547
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAMETHASONE 9,11-EPOXIDE

SMILES

[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@@H]3O[C@]34[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=GBDXNHBVYAMODG-DEGNENOVSA-N
InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,18-,19-,20-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H28O5
Molecular Weight 372.4547
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:34:16 UTC 2023
Edited
by admin
on Sat Dec 16 07:34:16 UTC 2023
Record UNII
M9AY9BSI41
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETAMETHASONE 9,11-EPOXIDE
Common Name English
BECLOMETHASONE DIPROPIONATE IMPURITY R [EP IMPURITY]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11-EPOXY-17,21-DIHYDROXY-16-METHYL-, (9.BETA.,11.BETA.,16.BETA.)-
Systematic Name English
9.BETA.-PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-EPOXY-17,21-DIHYDROXY-16.BETA.-METHYL-
Systematic Name English
9,11.BETA.-EPOXY-17,21-DIHYDROXY-16.BETA.-METHYL-9.BETA.-PREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
BETAMETHASONE IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID601020538
Created by admin on Sat Dec 16 07:34:16 UTC 2023 , Edited by admin on Sat Dec 16 07:34:16 UTC 2023
PRIMARY
ECHA (EC/EINECS)
213-563-4
Created by admin on Sat Dec 16 07:34:16 UTC 2023 , Edited by admin on Sat Dec 16 07:34:16 UTC 2023
PRIMARY
CAS
981-34-0
Created by admin on Sat Dec 16 07:34:16 UTC 2023 , Edited by admin on Sat Dec 16 07:34:16 UTC 2023
PRIMARY
FDA UNII
M9AY9BSI41
Created by admin on Sat Dec 16 07:34:16 UTC 2023 , Edited by admin on Sat Dec 16 07:34:16 UTC 2023
PRIMARY
PUBCHEM
101933
Created by admin on Sat Dec 16 07:34:16 UTC 2023 , Edited by admin on Sat Dec 16 07:34:16 UTC 2023
PRIMARY
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