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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H67NO12
Molecular Weight 789.9932
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 10-DESMETHYL TACROLIMUS

SMILES

C=CC[C@]1([H])/C(/[H])=C(\[H])/C[C@]([H])(C)C[C@@]([H])([C@]2([H])[C@]([H])(C[C@@]([H])(C)[C@@](C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@]([H])(/C(=C(\[H])/[C@]4([H])CC[C@]([H])([C@@]([H])(C4)OC)O)/C)[C@]([H])(C)[C@]([H])(CC1=O)O)(O)O2)OC)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 789.9932
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 Sat Jun 26 15:29:14 UTC 2021
Edited
by admin
on Sat Jun 26 15:29:14 UTC 2021
Record UNII
69S4289688
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
10-DESMETHYL TACROLIMUS
Common Name English
TACROLIMUS IMPURITY, DESMETHYL TACROLIMUS [USP]
Common Name English
TACROLIMUS MONOHYDRATE IMPURITY C [EP]
Common Name English
Code System Code Type Description
PUBCHEM
90478661
Created by admin on Sat Jun 26 15:29:14 UTC 2021 , Edited by admin on Sat Jun 26 15:29:14 UTC 2021
PRIMARY
FDA UNII
69S4289688
Created by admin on Sat Jun 26 15:29:14 UTC 2021 , Edited by admin on Sat Jun 26 15:29:14 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP