ALLANTOIN GLYCYRRHETINIC ACID

First approved in 2014

Details

Stereochemistry	EPIMERIC
Molecular Formula	C30H46O4.C4H6N4O3
Molecular Weight	628.7993
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLANTOIN GLYCYRRHETINIC ACID

Structure Search

SMILES

NC(=O)NC1NC(=O)NC1=O.CC2(C)[C@@H](O)CC[C@@]3(C)[C@H]2CC[C@]4(C)[C@@H]3C(=O)C=C5[C@@H]6C[C@](C)(CC[C@]6(C)CC[C@@]45C)C(O)=O

InChI

InChIKey=PCWYUXROTNZZHR-IHMBCTQLSA-N

InChI=1S/C30H46O4.C4H6N4O3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;5-3(10)6-1-2(9)8-4(11)7-1/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);1H,(H3,5,6,10)(H2,7,8,9,11)/t19-,21-,22-,23+,26+,27-,28-,29+,30+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C30H46O4
Molecular Weight	470.6838
Charge	0
Count

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

Molecular Formula	C4H6N4O3
Molecular Weight	158.1154
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:30:52 GMT 2025` Edited by `admin` on `Mon Mar 31 20:30:52 GMT 2025`
Record UNII	H6FL381368
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLANTOIN GLYCYRRHETINIC ACID

Official Name

English

ALLANTOIN, MONO(3.BETA.-HYDROXY-11-OXOOLEAN-12-EN-30-OATE)

Preferred Name

English

OLEAN-12-EN-30-OIC ACID, 3.BETA.-HYDROXY-11-OXO-, COMPD. WITH ALLANTOIN

Common Name

English

UREA, (2,5-DIOXO-4-IMIDAZOLIDINYL)-, MONO((3.BETA.,20.BETA.)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OATE)

Systematic Name

English

OLEAN-12-EN-29-OIC ACID, 3-HYDROXY-11-OXO-, (3.BETA.,20.BETA.)-, COMPD. WITH (2,5-DIOXO-4-IMIDAZOLIDINYL)UREA (1:1)

Common Name

English

OLEAN-12-EN-29-OIC ACID, 3.BETA.-HYDROXY-11-OXO-, COMPD. WITH ALLANTOIN (1:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40884088