ROXOLONIUM METILSULFATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C37H60NO4.CH3O4S
Molecular Weight	693.974
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COS([O-])(=O)=O.[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]3(C)C2=CC(=O)[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)C(=O)OCC6CCC[N+]6(C)C

InChI

InChIKey=OFXFYMRNHDKBQX-WKUMGRCGSA-M

InChI=1S/C37H60NO4.CH4O4S/c1-32(2)28-12-15-37(7)30(35(28,5)14-13-29(32)40)27(39)21-25-26-22-34(4,17-16-33(26,3)18-19-36(25,37)6)31(41)42-23-24-11-10-20-38(24,8)9;1-5-6(2,3)4/h21,24,26,28-30,40H,10-20,22-23H2,1-9H3;1H3,(H,2,3,4)/q+1;/p-1/t24?,26-,28-,29-,30+,33+,34-,35-,36+,37+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	CH3O4S
Molecular Weight	111.097
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C37H60NO4
Molecular Weight	582.8766
Charge	1
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: Elks J., The Dictionary of Drugs: Chemical Data: Chemical Data, Structures, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA1083&lpg=PA1083&dq=ROXOLONIUM&source=bl&ots=6JUfs7Rxos&sig=ACfU3U2b9qmh4Yri767sa8IT-IsdU2-rug&hl=ru&sa=X&ved=2ahUKEwjm0rzW2YfjAhVsyqYKHU-sBFUQ6AEwC3oECAkQAQ#v=onepage&q=ROXOLONIUM&f=false

Roxolonium, a derivative of glycyrrhetic acid, was studied as an antiulcer agent. Information about the further development of this compound is not available.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:14:41 GMT 2023` Edited by `admin` on `Fri Dec 15 19:14:41 GMT 2023`
Record UNII	M5RBG90E95
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROXOLONIUM METILSULFATE

Official Name

English

2-(HYDROXYMETHYL)-1,1-DIMETHYLPYRROLIDINIUM METHYL SULFATE 3.BETA.-HYDROXY-11-OXOOLEAN-12-EN-30-OATE

Common Name

English

ROXOLONIUM METILSULPHATE

Common Name

English

roxolonium metilsulfate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29701