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

Details

Stereochemistry ABSOLUTE
Molecular Formula C76H52O46.C18H21NO3
Molecular Weight 2000.5627
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROCODONE TANNATE

SMILES

[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]15CCN(C)[C@H](C4)[C@]5([H])CCC2=O.OC6=CC(=CC(O)=C6O)C(=O)OC7=CC(=CC(O)=C7O)C(=O)OC[C@H]8O[C@@H](OC(=O)C9=CC(O)=C(O)C(OC(=O)C%10=CC(O)=C(O)C(O)=C%10)=C9)[C@H](OC(=O)C%11=CC(O)=C(O)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)=C%11)[C@@H](OC(=O)C%13=CC(O)=C(O)C(OC(=O)C%14=CC(O)=C(O)C(O)=C%14)=C%13)[C@@H]8OC(=O)C%15=CC(O)=C(O)C(OC(=O)C%16=CC(O)=C(O)C(O)=C%16)=C%15

InChI

InChIKey=MGLIXEAMASGXSI-KBXDZNRUSA-N
InChI=1S/C76H52O46.C18H21NO3/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h1-20,52,63-65,76-101H,21H2;3,6,11-12,17H,4-5,7-9H2,1-2H3/t52-,63-,64+,65-,76+;11-,12+,17-,18-/m10/s1

HIDE SMILES / InChI

Molecular Formula C18H21NO3
Molecular Weight 299.3642
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C76H52O46
Molecular Weight 1701.1985
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:10:54 UTC 2023
Edited
by admin
on Fri Dec 15 18:10:54 UTC 2023
Record UNII
68T7388F5H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROCODONE TANNATE
WHO-DD  
Common Name English
4,5.ALPHA.-EPOXY-3-METHOXY-17-METHYLMORPHINAN-6-ONE TANNATE
Common Name English
HYDROCODONE TANNATE [WHO-DD]
Common Name English
Code System Code Type Description
PUBCHEM
16208253
Created by admin on Fri Dec 15 18:10:54 UTC 2023 , Edited by admin on Fri Dec 15 18:10:54 UTC 2023
PRIMARY
FDA UNII
68T7388F5H
Created by admin on Fri Dec 15 18:10:54 UTC 2023 , Edited by admin on Fri Dec 15 18:10:54 UTC 2023
PRIMARY
RXCUI
597355
Created by admin on Fri Dec 15 18:10:54 UTC 2023 , Edited by admin on Fri Dec 15 18:10:54 UTC 2023
PRIMARY RxNorm
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY