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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

SMILES

NC(=O)NC1NC(=O)NC1=O.[H][C@@]23C[C@](C)(CC[C@]2(C)CC[C@]4(C)C3=CC(=O)[C@]5([H])[C@@]6(C)CC[C@H](O)C(C)(C)[C@]6([H])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 C4H6N4O3
Molecular Weight 158.1154
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:03:14 UTC 2023
Edited
by admin
on Sat Dec 16 00:03:14 UTC 2023
Record UNII
H6FL381368
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLANTOIN GLYCYRRHETINIC ACID
INCI  
INCI  
Official 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
ALLANTOIN, MONO(3.BETA.-HYDROXY-11-OXOOLEAN-12-EN-30-OATE)
Common Name English
ALLANTOIN GLYCYRRHETINIC ACID [INCI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40884088
Created by admin on Sat Dec 16 00:03:14 UTC 2023 , Edited by admin on Sat Dec 16 00:03:14 UTC 2023
PRIMARY
DAILYMED
H6FL381368
Created by admin on Sat Dec 16 00:03:14 UTC 2023 , Edited by admin on Sat Dec 16 00:03:14 UTC 2023
PRIMARY
FDA UNII
H6FL381368
Created by admin on Sat Dec 16 00:03:14 UTC 2023 , Edited by admin on Sat Dec 16 00:03:14 UTC 2023
PRIMARY
CAS
4572-09-2
Created by admin on Sat Dec 16 00:03:14 UTC 2023 , Edited by admin on Sat Dec 16 00:03:14 UTC 2023
PRIMARY
RXCUI
1862870
Created by admin on Sat Dec 16 00:03:14 UTC 2023 , Edited by admin on Sat Dec 16 00:03:14 UTC 2023
PRIMARY
PUBCHEM
76965452
Created by admin on Sat Dec 16 00:03:14 UTC 2023 , Edited by admin on Sat Dec 16 00:03:14 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE