FK506-A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H69NO12
Molecular Weight	804.0182
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1C[C@@H](CC[C@H]1O)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@@H]([C@H](C[C@H]4C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@@H](C)\C=C2/C)OC

InChI

InChIKey=CISNOWSTVWQKDD-JYBSSGHFSA-N

InChI=1S/C44H69NO12/c1-10-13-30-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-29(6)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(31-15-16-33(46)36(23-31)53-7)28(5)21-27(4)34(47)24-35(30)48/h10,19,21,26-27,29-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,28-21+/t26-,27-,29+,30+,31+,32-,33+,34-,36+,37-,38-,39-,40+,44+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

FK506-A

Code

English

TACROLIMUS IMPURITY 2

Preferred Name

English

17,21-EPOXY-3H-PYRIDO(2,1-C)(1,4)OXAAZACYCLOPENTACOSINE-1,9,22,23(6H,25H)-TETRONE, 7,8,10,13,14,15,16,17,18,19,20,21,26,27,28,28A-HEXADECAHYDRO-7,21-DIHYDROXY-3-(4-HYDROXY-3-METHOXYCYCLOHEXYL)-16,18-DIMETHOXY-4,6,12,14,20-PENTAMETHYL-10-(2-PROPENYL)-, (3

Systematic Name

English

Code System Code Type Description

CAS

131944-48-4

Created by admin on Mon Mar 31 23:10:37 GMT 2025 , Edited by admin on Mon Mar 31 23:10:37 GMT 2025

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PUBCHEM

14846170

Created by admin on Mon Mar 31 23:10:37 GMT 2025 , Edited by admin on Mon Mar 31 23:10:37 GMT 2025

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FDA UNII

Y8RY7CLE8L

Created by admin on Mon Mar 31 23:10:37 GMT 2025 , Edited by admin on Mon Mar 31 23:10:37 GMT 2025

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EPA CompTox

DTXSID80747789

Created by admin on Mon Mar 31 23:10:37 GMT 2025 , Edited by admin on Mon Mar 31 23:10:37 GMT 2025

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SUBSTANCE RECORD


					Y8RY7CLE8L

FK506-A