Tacrolimus open ring

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H71NO13
Molecular Weight	822.0334
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(CC[C@@H](O)[C@@H](C1)OC)\C=C(/C)[C@@H](O)[C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)\C=C(/C)C[C@H](C)C[C@H](OC)[C@@]2([H])O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N3CCCC[C@H]3C(O)=O

InChI

InChIKey=CIGNSOBMVLEHDI-LFZNUXCKSA-N

InChI=1S/C44H71NO13/c1-10-13-31(35(48)24-34(47)29(6)39(49)27(4)21-30-15-16-33(46)36(23-30)55-7)19-25(2)18-26(3)20-37(56-8)40-38(57-9)22-28(5)44(54,58-40)41(50)42(51)45-17-12-11-14-32(45)43(52)53/h10,19,21,26,28-34,36-40,46-47,49,54H,1,11-18,20,22-24H2,2-9H3,(H,52,53)/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Tacrolimus open ring

Common Name

English

TACROLIMUS HYDROLYZED LACTONE

Common Name

English

(S)-1-(2-((2R,3R,5S,6R)-6-((1S,3S,5E,7R,10S,11R,12S,13E)-7-allyl-10,12-dihydroxy-14-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-1-methoxy-3,5,11,13-tetramethyl-8-oxotetradeca-5,13-dien-1-yl)-2-hydroxy-5-methoxy-3-methyltetrahydro-2H-pyran-2-yl)-2-oxoacety

Systematic Name

English

TACROLIMUS HYDROXY ACID

Common Name

English

Code System Code Type Description

FDA UNII

4LZ5DLK79R

Created by admin on Sat Dec 16 10:19:32 GMT 2023 , Edited by admin on Sat Dec 16 10:19:32 GMT 2023

PRIMARY

PUBCHEM

166177175

Created by admin on Sat Dec 16 10:19:32 GMT 2023 , Edited by admin on Sat Dec 16 10:19:32 GMT 2023

PRIMARY

SUBSTANCE RECORD


					4LZ5DLK79R

Tacrolimus open ring