MICINICATE

Details

Stereochemistry	MIXED
Molecular Formula	C23H27NO4
Molecular Weight	381.4648
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1C[C@H](CC(C)(C)C1)OC(=O)C(OC(=O)C2=CC=CN=C2)C3=CC=CC=C3

InChI

InChIKey=JVISQUVIQOJOOQ-VPSRXSMPSA-N

InChI=1S/C23H27NO4/c1-16-12-19(14-23(2,3)13-16)27-22(26)20(17-8-5-4-6-9-17)28-21(25)18-10-7-11-24-15-18/h4-11,15-16,19-20H,12-14H2,1-3H3/t16-,19+,20?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H27NO4
Molecular Weight	381.4648
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: Elks J., The Dictionary of Drugs: Chemical Data: Chemical Data, Structures, retrieved from:https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA823&lpg=PA823&dq=MICINICATE&source=bl&ots=6JTnv5Uyxz&sig=ACfU3U2rXgckRV5-Vw8io8-yqrJtOpM_gw&hl=ru&sa=X&ved=2ahUKEwij-_6K3tXiAhWL_CoKHeRAC0o4ChDoATAIegQIBxAB#v=onepage&q=MICINICATE&f=false

Micinicate, a vasodilator was developed as a spasmolytic agent. Information about the current use of this compound is not available.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:09:09 GMT 2023` Edited by `admin` on `Fri Dec 15 16:09:09 GMT 2023`
Record UNII	M87S131A7F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MICINICATE

Official Name

English

NICOTINIC ACID, ESTER WITH CIS-3,3,5-TRIMETHYLCYCLOHEXYL (±)-MANDELATE

Common Name

English

micinicate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29707