ISO-FK-506

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H69NO12
Molecular Weight	804.0182
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

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](CC(=O)[C@H](CC=C)\C=C(C)\C[C@H](C)C[C@@H]2OC)[C@@H](C)[C@H](O)C(\C)=C\[C@@H]4CC[C@@H](O)[C@@H](C4)OC

InChI

InChIKey=YXGKFJMGANONSQ-YSAQBHCASA-N

InChI=1S/C44H69NO12/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)56-35(24-34(31)47)29(6)39(48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-33,35-40,46,48,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,35-,36+,37-,38-,39+,40+,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H69NO12
Molecular Weight	804.0182
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 `Sat Dec 16 18:38:01 UTC 2023` Edited by `admin` on `Sat Dec 16 18:38:01 UTC 2023`
Record UNII	AP3VG6M3W4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISO-FK-506

Code

English

ISO-FK 506

Code

English

13,17-EPOXY-3H-PYRIDO(2,1-C)(1,4)OXAAZACYCLOHENEICOSINE-1,5,18,19(4H,21H)-TETRONE, 6,9,10,11,12,13,14,15,16,17,22,23,24,24A-TETRADECAHYDRO-17-HYDROXY-3-(2-HYDROXY-4-(4-HYDROXY-3-METHOXYCYCLOHEXYL)-1,3-DIMETHYL-3-BUTENYL)-12,14-DIMETHOXY-8,10,16-TRIMETHYL

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30857882

Created by admin on Sat Dec 16 18:38:01 UTC 2023 , Edited by admin on Sat Dec 16 18:38:01 UTC 2023

PRIMARY

PUBCHEM

14724720

Created by admin on Sat Dec 16 18:38:01 UTC 2023 , Edited by admin on Sat Dec 16 18:38:01 UTC 2023

PRIMARY

CAS

134590-88-8

Created by admin on Sat Dec 16 18:38:01 UTC 2023 , Edited by admin on Sat Dec 16 18:38:01 UTC 2023

PRIMARY

FDA UNII

AP3VG6M3W4

Created by admin on Sat Dec 16 18:38:01 UTC 2023 , Edited by admin on Sat Dec 16 18:38:01 UTC 2023

PRIMARY

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TACROLIMUS

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Interaction Type:

MINOR

Amount: