EHRETININE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H21NO3
Molecular Weight	275.3428
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1)C(=O)O[C@@H]2CCN3CC[C@H](C)[C@H]23

InChI

InChIKey=PIRUMYPCEYRZQG-NILFDRSVSA-N

InChI=1S/C16H21NO3/c1-11-7-9-17-10-8-14(15(11)17)20-16(18)12-3-5-13(19-2)6-4-12/h3-6,11,14-15H,7-10H2,1-2H3/t11-,14+,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H21NO3
Molecular Weight	275.3428
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:20:22 GMT 2025` Edited by `admin` on `Mon Mar 31 23:20:22 GMT 2025`
Record UNII	P23Z82Y326
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-350856

Preferred Name

English

EHRETININE

Common Name

English

RETRONECANOL 4-METHOXYBENZOATE

Common Name

English

BENZOIC ACID, 4-METHOXY-, HEXAHYDRO-7-METHYL-1H-PYRROLIZIN-1-YL ESTER, (1R-(1.ALPHA.,7.ALPHA.,7A.BETA.))-

Systematic Name

English

BENZOIC ACID, 4-METHOXY-, (1R,7S,7AR)-HEXAHYDRO-7-METHYL-1H-PYRROLIZIN-1-YL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

336435

Created by admin on Mon Mar 31 23:20:22 GMT 2025 , Edited by admin on Mon Mar 31 23:20:22 GMT 2025

PRIMARY

CAS

76231-29-3

Created by admin on Mon Mar 31 23:20:22 GMT 2025 , Edited by admin on Mon Mar 31 23:20:22 GMT 2025

PRIMARY

FDA UNII

P23Z82Y326

Created by admin on Mon Mar 31 23:20:22 GMT 2025 , Edited by admin on Mon Mar 31 23:20:22 GMT 2025

PRIMARY

NSC

350856

Created by admin on Mon Mar 31 23:20:22 GMT 2025 , Edited by admin on Mon Mar 31 23:20:22 GMT 2025

PRIMARY