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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H39ClO7
Molecular Weight 523.058
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-DIHYDRO-BECLOMETHASONE DIPROPIONATE

SMILES

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

InChI

InChIKey=ORQYWVYNTDYWTI-XYWKZLDCSA-N
InChI=1S/C28H39ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h13,16,19-21,31H,6-12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H39ClO7
Molecular Weight 523.058
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 10:44:55 UTC 2023
Edited
by admin
on Sat Dec 16 10:44:55 UTC 2023
Record UNII
6L7Y3NF708
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-DIHYDRO-BECLOMETHASONE DIPROPIONATE
Common Name English
BECLOMETHASONE DIPROPIONATE IMPURITY L [EP IMPURITY]
Common Name English
9-CHLORO-11.BETA.-HYDROXY-16.BETA.-METHYL-3,20-DIOXOPREGN-4-ENE-17,21-DIYL DIPROPANOATE
Systematic Name English
PREGN-4-ENE-3,20-DIONE, 9-CHLORO-11-HYDROXY-16-METHYL-17,21-BIS(1-OXOPROPOXY)-, (11.BETA.,16.BETA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30728245
Created by admin on Sat Dec 16 10:44:55 UTC 2023 , Edited by admin on Sat Dec 16 10:44:55 UTC 2023
PRIMARY
PUBCHEM
57896520
Created by admin on Sat Dec 16 10:44:55 UTC 2023 , Edited by admin on Sat Dec 16 10:44:55 UTC 2023
PRIMARY
CAS
114371-33-4
Created by admin on Sat Dec 16 10:44:55 UTC 2023 , Edited by admin on Sat Dec 16 10:44:55 UTC 2023
PRIMARY
FDA UNII
6L7Y3NF708
Created by admin on Sat Dec 16 10:44:55 UTC 2023 , Edited by admin on Sat Dec 16 10:44:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP