ISATIDINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H25NO7
Molecular Weight	367.3936
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([O-])CC[C@@H](OC1=O)[C@@H]23

InChI

InChIKey=IDIMIWQPUHURPV-BJODLBMNSA-N

InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H25NO7
Molecular Weight	367.3936
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:41:15 GMT 2025` Edited by `admin` on `Tue Apr 01 16:41:15 GMT 2025`
Record UNII	51819GRV4U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

12,18-DIHYDROXYSENECIONAN-11,16-DIONE-4-OXIDE [HSDB]

Preferred Name

English

ISATIDINE

Common Name

English

RETRORSINE OXIDE

Common Name

English

CIS-RETRONECIC ACID ESTER OF RETRONECINE-N-OXIDE

Common Name

English

(1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINE-2,7-DIONE, 3- ETHYLIDENE-3,4,5,6,9,11,13,14,14A,14B-DECAHYDRO-6-HYDROXY-6- (HYDROXYMETHYL)-5-METHYL-, 14-OXIDE, (3Z,5R,6S,14AR,14BR)-

Systematic Name

English

15-ETHYLIDENE-12.BETA.-HYDROXY-12.ALPHA.-HYDROXYMETHYL- 13.BETA.-METHYLSENEC-1-ENINE-4-OXIDE, TRANS-

Common Name

English

SENECIONAN-11,16-DIONE, 12,18-DIHYDROXY-, 4-OXIDE

Common Name

English

ISATIDINE [IARC]

Common Name

English

RETRORSINE, N-OXIDE

Common Name

English

Code System Code Type Description

FDA UNII

51819GRV4U