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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H67NO11
Molecular Weight 786.0029
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TACROLIMUS DIENE

SMILES

[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@@]([H])([C@H](C)\C=C\C(=O)[C@H](CC=C)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]4CC[C@@H](O)[C@@H](C4)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 786.0029
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 Dec 16 08:33:20 UTC 2023
Edited
by admin
on Sat Dec 16 08:33:20 UTC 2023
Record UNII
LOS6YV3B9N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TACROLIMUS DIENE
Common Name English
TACROLIMUS MONOHYDRATE IMPURITY I [EP IMPURITY]
Common Name English
TACROLIMUS DIENE [USP IMPURITY]
Common Name English
.DELTA.23-FK-506
Common Name English
23,24-ANHYDRO TACROLIMUS
Common Name English
Code System Code Type Description
PUBCHEM
72941634
Created by admin on Sat Dec 16 08:33:20 UTC 2023 , Edited by admin on Sat Dec 16 08:33:20 UTC 2023
PRIMARY
FDA UNII
LOS6YV3B9N
Created by admin on Sat Dec 16 08:33:20 UTC 2023 , Edited by admin on Sat Dec 16 08:33:20 UTC 2023
PRIMARY
CAS
104987-16-8
Created by admin on Sat Dec 16 08:33:20 UTC 2023 , Edited by admin on Sat Dec 16 08:33:20 UTC 2023
PRIMARY
RS_ITEM_NUM
1A01930
Created by admin on Sat Dec 16 08:33:20 UTC 2023 , Edited by admin on Sat Dec 16 08:33:20 UTC 2023
PRIMARY
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