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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H37ClO6
Molecular Weight 493.032
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BECLOMETHASONE VALERATE

SMILES

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

InChI

InChIKey=CYBACPSHBXABHX-SUYDQAKGSA-N
InChI=1S/C27H37ClO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H37ClO6
Molecular Weight 493.032
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 09:08:35 UTC 2023
Edited
by admin
on Sat Dec 16 09:08:35 UTC 2023
Record UNII
Y75EGH2Q6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BECLOMETHASONE VALERATE
Common Name English
BECLOMETHASONE 17-VALERATE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9-CHLORO-11,21-DIHYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)-, (11.BETA.,16.BETA.)-
Systematic Name English
BETAMETHASONE VALERATE IMPURITY H [EP IMPURITY]
Common Name English
9-CHLORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 17-VALERATE
Systematic Name English
9-CHLORO-11.BETA.,21-DIHYDROXY-16.BETA.-METHYL-3,20-DIOXOPREGNA-1,4-DIEN-17-YL PENTANOATE
Systematic Name English
Code System Code Type Description
SMS_ID
300000047933
Created by admin on Sat Dec 16 09:08:36 UTC 2023 , Edited by admin on Sat Dec 16 09:08:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID70967055
Created by admin on Sat Dec 16 09:08:36 UTC 2023 , Edited by admin on Sat Dec 16 09:08:36 UTC 2023
PRIMARY
CAS
52619-18-8
Created by admin on Sat Dec 16 09:08:36 UTC 2023 , Edited by admin on Sat Dec 16 09:08:36 UTC 2023
PRIMARY
ECHA (EC/EINECS)
258-050-6
Created by admin on Sat Dec 16 09:08:36 UTC 2023 , Edited by admin on Sat Dec 16 09:08:36 UTC 2023
PRIMARY
PUBCHEM
104262
Created by admin on Sat Dec 16 09:08:36 UTC 2023 , Edited by admin on Sat Dec 16 09:08:36 UTC 2023
PRIMARY
FDA UNII
Y75EGH2Q6J
Created by admin on Sat Dec 16 09:08:36 UTC 2023 , Edited by admin on Sat Dec 16 09:08:36 UTC 2023
PRIMARY
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