ZOTATIFIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H29N3O5
Molecular Weight	487.547
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=NC(OC)=C2C(O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]23O)C4=CC=CC=C4)C5=CC=C(C=C5)C#N)=C1

InChI

InChIKey=QYCXWOACFWMQFO-WZWZCULESA-N

InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H29N3O5
Molecular Weight	487.547
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:03:40 GMT 2023` Edited by `admin` on `Sat Dec 16 15:03:40 GMT 2023`
Record UNII	2EWN8Z05CN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZOTATIFIN

Official Name

English

EFT-226

Code

English

EFT226

Code

English

zotatifin [INN]

Common Name

English

4-{(5aR,6S,7S,8R,8aS)-7-[(Dimethylamino)methyl]-8,8a-dihydroxy-1,3-dimethoxy-6-phenyl-6,7,8,8a-tetrahydro-5aH-cyclopenta[4,5]furo[3,2-c]pyridin-5a-yl}benzonitrile

Systematic Name

English

Zotatifin [WHO-DD]

Common Name

English

BENZONITRILE, 4-((5AR,6S,7S,8R,8AS)-7-((DIMETHYLAMINO)METHYL)-6,7,8,8A-TETRAHYDRO-8,8A-DIHYDROXY-1,3-DIMETHOXY-6-PHENYL-5AH-CYCLOPENTA(4,5)FURO(3,2-C)PYRIDIN-5A-YL)-

Systematic Name

English

ZOTATIFIN [USAN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C165746