TACROLIMUS ANHYDROUS 8-EPIMER

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 of TACROLIMUS ANHYDROUS 8-EPIMER

Structure Search

SMILES

[H][C@]1(CC[C@@H](O)[C@@H](C1)OC)\C=C(/C)[C@@]2([H])OC(=O)[C@]3([H])CCCCN3C(=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]2C)OC

InChI

InChIKey=QJJXYPPXXYFBGM-NCGCDJFJSA-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)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/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	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 11:05:04 UTC 2023` Edited by `admin` on `Sat Dec 16 11:05:04 UTC 2023`
Record UNII	294O3172M2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TACROLIMUS ANHYDROUS 8-EPIMER

Common Name

English

(3S,4R,5S,8S,9E,12S,14S,15R,16S,18R,19R,26AS)-5,19-DIHYDROXY-3-((1E)-1-((1R,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)PROP-1-EN-2-YL)-14,16-DIMETHOXY-4,10,12,18-TETRAMETHYL-8-(PROP-2-EN-1-YL)-3,4,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26A-OCTADECAHYDRO-7H-

Systematic Name

English

8-EPI-TACROLIMUS

Common Name

English

TACROLIMUS MONOHYDRATE IMPURITY D [EP IMPURITY]

Common Name

English

8-EPITACROLIMUS

Common Name

English

15,19-EPOXY-3H-PYRIDO(2,1-C)(1,4)OXAAZACYCLOTRICOSINE-1,7,20,21(4H,23H)-TETRONE, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26A-HEXADECAHYDRO-5,19-DIHYDROXY-3-(2-(4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHENYL)-14,16-DIMETHOXY-4,10,12,18-TETRAMETHYL-8-(2-

Systematic Name

English

TACROLIMUS 8-EPIMER [USP-RS]

Common Name

English

Code System Code Type Description

PUBCHEM

13006299