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

Details

Stereochemistry ABSOLUTE
Molecular Formula C76H52O46.C10H15NO
Molecular Weight 1866.4307
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOEPHEDRINE TANNATE

SMILES

CN[C@@H](C)[C@@H](O)C1=CC=CC=C1.OC2=CC(=CC(O)=C2O)C(=O)OC3=CC(=CC(O)=C3O)C(=O)OC[C@H]4O[C@@H](OC(=O)C5=CC(O)=C(O)C(OC(=O)C6=CC(O)=C(O)C(O)=C6)=C5)[C@H](OC(=O)C7=CC(O)=C(O)C(OC(=O)C8=CC(O)=C(O)C(O)=C8)=C7)[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]4OC(=O)C%11=CC(O)=C(O)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)=C%11

InChI

InChIKey=FGPQMDDYPJHDFD-LTWNAJEQSA-N
InChI=1S/C76H52O46.C10H15NO/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;1-8(11-2)10(12)9-6-4-3-5-7-9/h1-20,52,63-65,76-101H,21H2;3-8,10-12H,1-2H3/t52-,63-,64+,65-,76+;8-,10+/m10/s1

HIDE SMILES / InChI

Molecular Formula C10H15NO
Molecular Weight 165.2322
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
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 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 03:27:41 GMT 2023
Edited
by admin
on Sat Dec 16 03:27:41 GMT 2023
Record UNII
82W1IJ29AT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSEUDOEPHEDRINE TANNATE
WHO-DD  
Common Name English
PSEUDOEPHEDRINE TANNATE [WHO-DD]
Common Name English
Code System Code Type Description
EVMPD
SUB20399
Created by admin on Sat Dec 16 03:27:41 GMT 2023 , Edited by admin on Sat Dec 16 03:27:41 GMT 2023
PRIMARY
PUBCHEM
16141736
Created by admin on Sat Dec 16 03:27:41 GMT 2023 , Edited by admin on Sat Dec 16 03:27:41 GMT 2023
PRIMARY
SMS_ID
100000089530
Created by admin on Sat Dec 16 03:27:41 GMT 2023 , Edited by admin on Sat Dec 16 03:27:41 GMT 2023
PRIMARY
RXCUI
221151
Created by admin on Sat Dec 16 03:27:41 GMT 2023 , Edited by admin on Sat Dec 16 03:27:41 GMT 2023
PRIMARY RxNorm
FDA UNII
82W1IJ29AT
Created by admin on Sat Dec 16 03:27:41 GMT 2023 , Edited by admin on Sat Dec 16 03:27:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE