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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H71NO12
Molecular Weight 806.034
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TSUKUBAMYCIN B

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@@H](O)CC(=O)[C@H](CCC)\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=RQYGKZGKXDOUEO-LFZNUXCKSA-N
InChI=1S/C44H71NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h19,21,26,28-34,36-40,46-47,52H,10-18,20,22-24H2,1-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula C44H71NO12
Molecular Weight 806.034
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 Thu Jul 06 16:40:23 UTC 2023
Edited
by admin
on Thu Jul 06 16:40:23 UTC 2023
Record UNII
0SDH06DWVW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TSUKUBAMYCIN B
Common Name English
TACROLIMUS 8-PROPYL ANALOG
USP-RS  
Common Name English
DIHYDRO-FK-506, (-)-
Code English
TACROLIMUS MONOHYDRATE IMPURITY E [EP IMPURITY]
Common Name English
DIHYDRO-FK-506
Common Name English
TACROLIMUS IMPURITY, TACROLIMUS 8-PROPYL ANALOG- [USP IMPURITY]
Common Name English
TACROLIMUS 8-PROPYL ANALOG [USP-RS]
Common Name English
Code System Code Type Description
PUBCHEM
13819087
Created by admin on Thu Jul 06 16:40:23 UTC 2023 , Edited by admin on Thu Jul 06 16:40:23 UTC 2023
PRIMARY
CAS
104987-30-6
Created by admin on Thu Jul 06 16:40:23 UTC 2023 , Edited by admin on Thu Jul 06 16:40:23 UTC 2023
PRIMARY
FDA UNII
0SDH06DWVW
Created by admin on Thu Jul 06 16:40:23 UTC 2023 , Edited by admin on Thu Jul 06 16:40:23 UTC 2023
PRIMARY
RS_ITEM_NUM
1642835
Created by admin on Thu Jul 06 16:40:23 UTC 2023 , Edited by admin on Thu Jul 06 16:40:23 UTC 2023
PRIMARY
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