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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H67NO11
Molecular Weight 786.0046
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .DELTA.23-FK-506

SMILES

C=CC[C@]1([H])/C(/[H])=C(\C)/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@]([H])(C)/C(/[H])=C(\[H])/C1=O)/C(=C(\[H])/[C@]4([H])CC[C@]([H])([C@@]([H])(C4)OC)O)/C)(O)O2)OC)OC

InChI

InChIKey=PLHJNIVKYISEQW-ADGUVUBISA-N
InChI=1S/C44H67NO11/c1-10-13-32-21-26(2)20-27(3)22-37(53-8)40-38(54-9)24-30(6)44(51,56-40)41(48)42(49)45-19-12-11-14-33(45)43(50)55-39(28(4)15-17-34(32)46)29(5)23-31-16-18-35(47)36(25-31)52-7/h10,15,17,21,23,27-28,30-33,35-40,47,51H,1,11-14,16,18-20,22,24-25H2,2-9H3/b17-15+,26-21+,29-23+/t27-,28+,30+,31-,32+,33-,35+,36+,37-,38-,39-,40+,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula C44H67NO11
Molecular Weight 786.0046
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:45:27 UTC 2021
Edited
by admin
on Sat Jun 26 05:45:27 UTC 2021
Record UNII
LOS6YV3B9N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.DELTA.23-FK-506
Common Name English
TACROLIMUS MONOHYDRATE IMPURITY I [EP]
Common Name English
TACROLIMUS IMPURITY, TACROLIMUS DIENE-[USP]
Common Name English
TACROLIMUS DIENE
Common Name English
23,24-ANHYDRO TACROLIMUS
Common Name English
Code System Code Type Description
PUBCHEM
72941634
Created by admin on Sat Jun 26 05:45:27 UTC 2021 , Edited by admin on Sat Jun 26 05:45:27 UTC 2021
PRIMARY
FDA UNII
LOS6YV3B9N
Created by admin on Sat Jun 26 05:45:27 UTC 2021 , Edited by admin on Sat Jun 26 05:45:27 UTC 2021
PRIMARY
CAS
104987-16-8
Created by admin on Sat Jun 26 05:45:27 UTC 2021 , Edited by admin on Sat Jun 26 05:45:27 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP