OXACYCLOHEXANE OPEN RING TACROLIMUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H71NO13
Molecular Weight	822.0334
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of OXACYCLOHEXANE OPEN RING TACROLIMUS

Structure Search

SMILES

[H][C@@]12CCCCN1C(=O)C(O)(O)C(=O)[C@H](C)C[C@H](OC)[C@H](O)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@@H](C)[C@H](OC2=O)C(\C)=C\[C@@H]3CC[C@@H](O)[C@@H](C3)OC)OC

InChI

InChIKey=NDOLMJWSFDJWBE-SICKWUOOSA-N

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

HIDE SMILES / InChI

Molecular Formula	C44H71NO13
Molecular Weight	822.0334
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:05:01 GMT 2023` Edited by `admin` on `Sat Dec 16 11:05:01 GMT 2023`
Record UNII	81QVK492XQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OXACYCLOHEXANE OPEN RING TACROLIMUS

Common Name

English

TACROLIMUS RELATED COMPOUND, TACROLIMUS OPEN RING- [USP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

72941686

Created by admin on Sat Dec 16 11:05:01 GMT 2023 , Edited by admin on Sat Dec 16 11:05:01 GMT 2023

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FDA UNII

81QVK492XQ

Created by admin on Sat Dec 16 11:05:01 GMT 2023 , Edited by admin on Sat Dec 16 11:05:01 GMT 2023

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CAS

144432-23-5

Created by admin on Sat Dec 16 11:05:01 GMT 2023 , Edited by admin on Sat Dec 16 11:05:01 GMT 2023

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