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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H67NO12
Molecular Weight 789.9916
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 10-DESMETHYL TACROLIMUS

SMILES

CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@@H]([C@H](C[C@H]4C)OC)[C@H](C[C@@H](C)C\C=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)OC

InChI

InChIKey=BQLWDKIYJULKSU-DKZHBRNOSA-N
InChI=1S/C43H67NO12/c1-9-13-30-15-12-14-25(2)20-36(53-7)39-37(54-8)22-27(4)43(51,56-39)40(48)41(49)44-19-11-10-16-31(44)42(50)55-38(28(5)33(46)24-34(30)47)26(3)21-29-17-18-32(45)35(23-29)52-6/h9,12,15,21,25,27-33,35-39,45-46,51H,1,10-11,13-14,16-20,22-24H2,2-8H3/b15-12+,26-21+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1

HIDE SMILES / InChI

Molecular Formula C43H67NO12
Molecular Weight 789.9916
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:37:25 GMT 2025
Edited
by admin
on Mon Mar 31 23:37:25 GMT 2025
Record UNII
69S4289688
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
10-DESMETHYL TACROLIMUS
Common Name English
TACROLIMUS IMPURITY, DESMETHYL TACROLIMUS [USP IMPURITY]
Preferred Name English
TACROLIMUS MONOHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
90478661
Created by admin on Mon Mar 31 23:37:25 GMT 2025 , Edited by admin on Mon Mar 31 23:37:25 GMT 2025
PRIMARY
FDA UNII
69S4289688
Created by admin on Mon Mar 31 23:37:25 GMT 2025 , Edited by admin on Mon Mar 31 23:37:25 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP