U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C80H56O48.C2H4O2
Molecular Weight 1845.3238
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETYLTANNIC ACID

SMILES

CC(O)=O.CC(=O)OC1=CC(=CC(O)=C1O)C(=O)OC2=CC(=CC(O)=C2O)C(=O)O[C@@H]3[C@@H](OC(=O)C4=CC(O)=C(O)C(OC(=O)C5=CC(OC(C)=O)=C(O)C(O)=C5)=C4)O[C@@H](COC(=O)C6=CC(O)=C(O)C(OC(=O)C7=CC(O)=C(O)C(O)=C7)=C6)[C@H](OC(=O)C8=CC(O)=C(O)C(OC(=O)C9=CC(O)=C(O)C(O)=C9)=C8)[C@H]3OC(=O)C%10=CC(O)=C(O)C(OC(=O)C%11=CC(O)=C(O)C(O)=C%11)=C%10

InChI

InChIKey=IPVDZJRROGTYOR-WZMKHLESSA-N
InChI=1S/C80H56O48.C2H4O2/c1-24(81)117-49-17-30(10-43(90)60(49)99)74(110)122-54-21-34(14-47(94)65(54)104)78(114)127-69-68(126-77(113)33-13-46(93)64(103)53(20-33)121-73(109)28-7-40(87)59(98)41(88)8-28)67(125-76(112)32-12-45(92)63(102)52(19-32)120-72(108)27-5-38(85)58(97)39(86)6-27)56(23-116-70(106)29-9-42(89)62(101)51(16-29)119-71(107)26-3-36(83)57(96)37(84)4-26)124-80(69)128-79(115)35-15-48(95)66(105)55(22-35)123-75(111)31-11-44(91)61(100)50(18-31)118-25(2)82;1-2(3)4/h3-22,56,67-69,80,83-105H,23H2,1-2H3;1H3,(H,3,4)/t56-,67-,68+,69-,80+;/m0./s1

HIDE SMILES / InChI
Acetyltannic acid is an astringent (intestinal) for foals, calves, dogs. It is used for treatment of diarrhoea.

Approval Year

Name Type Language
ACETANNIN
Preferred Name English
ACETYLTANNIC ACID
MI  
Common Name English
TANNIGEN
Common Name English
TANNYL ACETATE
Common Name English
DIACETYLTANNIC ACID
Common Name English
ACETYLTANNIC ACID [MI]
Common Name English
Code System Code Type Description
FDA UNII
6S8G786WHK
Created by admin on Mon Mar 31 18:39:13 GMT 2025 , Edited by admin on Mon Mar 31 18:39:13 GMT 2025
PRIMARY
PUBCHEM
131634791
Created by admin on Mon Mar 31 18:39:13 GMT 2025 , Edited by admin on Mon Mar 31 18:39:13 GMT 2025
PRIMARY
ChEMBL
CHEMBL2108908
Created by admin on Mon Mar 31 18:39:13 GMT 2025 , Edited by admin on Mon Mar 31 18:39:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID30161153
Created by admin on Mon Mar 31 18:39:13 GMT 2025 , Edited by admin on Mon Mar 31 18:39:13 GMT 2025
PRIMARY
CAS
1397-74-6
Created by admin on Mon Mar 31 18:39:13 GMT 2025 , Edited by admin on Mon Mar 31 18:39:13 GMT 2025
PRIMARY
MERCK INDEX
m1366
Created by admin on Mon Mar 31 18:39:13 GMT 2025 , Edited by admin on Mon Mar 31 18:39:13 GMT 2025
PRIMARY Merck Index
ECHA (EC/EINECS)
215-741-7
Created by admin on Mon Mar 31 18:39:13 GMT 2025 , Edited by admin on Mon Mar 31 18:39:13 GMT 2025
PRIMARY