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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H40O9
Molecular Weight 544.6332
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREDNICARBATE 11-PROPANOATE

SMILES

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

InChI

InChIKey=PHQHSRNVLNXLMH-NTPKLEHBSA-N
InChI=1S/C30H40O9/c1-6-24(33)37-17-23(32)30(39-27(35)36-8-3)14-12-21-20-10-9-18-15-19(31)11-13-28(18,4)26(20)22(16-29(21,30)5)38-25(34)7-2/h11,13,15,20-22,26H,6-10,12,14,16-17H2,1-5H3/t20-,21-,22-,26+,28-,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H40O9
Molecular Weight 544.6332
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:30:11 GMT 2023
Edited
by admin
on Sat Dec 16 18:30:11 GMT 2023
Record UNII
F3D6FZ7WR9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREDNICARBATE 11-PROPANOATE
Common Name English
PREDNICARBATE IMPURITY G [EP IMPURITY]
Common Name English
3,20-DIOXO-11.BETA.-PREGNA-1,4-DIENE-11,17,21-TRIYL 17-(ETHYL CARBONATE) 11,21-DIPROPANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
F3D6FZ7WR9
Created by admin on Sat Dec 16 18:30:11 GMT 2023 , Edited by admin on Sat Dec 16 18:30:11 GMT 2023
PRIMARY
PUBCHEM
155929110
Created by admin on Sat Dec 16 18:30:11 GMT 2023 , Edited by admin on Sat Dec 16 18:30:11 GMT 2023
PRIMARY
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