COFISATIN

Details

Stereochemistry	UNKNOWN
Molecular Formula	C68H79NO11
Molecular Weight	1086.355
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H]([C@@H](C)CCC(=O)OC3=CC=C(C=C3)C4(C(=O)NC5=C4C=CC=C5)C6=CC=C(OC(=O)CC[C@@H](C)[C@H]7CC[C@@]8([H])[C@]9([H])C(=O)CC%10CC(=O)CC[C@]%10(C)[C@@]9([H])CC(=O)[C@]78C)C=C6)[C@@]1(C)C(=O)C[C@@]%11([H])[C@@]2([H])C(=O)CC%12CC(=O)CC[C@]%11%12C

InChI

InChIKey=LKJGKLIBASNLKR-NILNNKIFSA-N

InChI=1S/C68H79NO11/c1-37(47-21-23-50-61-52(35-57(74)66(47,50)5)64(3)29-27-43(70)31-41(64)33-55(61)72)11-25-59(76)79-45-17-13-39(14-18-45)68(49-9-7-8-10-54(49)69-63(68)78)40-15-19-46(20-16-40)80-60(77)26-12-38(2)48-22-24-51-62-53(36-58(75)67(48,51)6)65(4)30-28-44(71)32-42(65)34-56(62)73/h7-10,13-20,37-38,41-42,47-48,50-53,61-62H,11-12,21-36H2,1-6H3,(H,69,78)/t37?,38?,41?,42?,47-,48-,50+,51+,52+,53+,61+,62+,64+,65+,66-,67-,68?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C68H79NO11
Molecular Weight	1086.355
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	14 / 17
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://patents.google.com/patent/FR1161345A/en

Cofisatin is a synthetic derivative of a dehydrocholic acid and isatine, invented by French Societe D'etudes et Applications Chimiques in the 1950s. The compound is claimed to promote intestinal peristaltic without causing irritation.

Originator

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:00:46 GMT 2023` Edited by `admin` on `Fri Dec 15 16:00:46 GMT 2023`
Record UNII	2M1JN9GB2X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COFISATIN

Official Name

English

COFISATINE

Common Name

English

cofisatin [INN]

Common Name

English

3,3-BIS(P-HYDROXYPHENYL)-2-INDOLINONE 3,7,12-TRIOXO-5.BETA.-CHOLAN-24-OIC ACID DIESTER

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C166580