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

[H][C@]12[C@@H](C)CCN1CC[C@H]2OC(=O)C3=CC=C(OC)C=C3

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 `Sat Dec 16 10:36:18 GMT 2023` Edited by `admin` on `Sat Dec 16 10:36:18 GMT 2023`
Record UNII	P23Z82Y326
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EHRETININE

Common Name

English

NSC-350856

Code

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 Sat Dec 16 10:36:18 GMT 2023 , Edited by admin on Sat Dec 16 10:36:18 GMT 2023

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CAS

76231-29-3

Created by admin on Sat Dec 16 10:36:18 GMT 2023 , Edited by admin on Sat Dec 16 10:36:18 GMT 2023

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FDA UNII

P23Z82Y326

Created by admin on Sat Dec 16 10:36:18 GMT 2023 , Edited by admin on Sat Dec 16 10:36:18 GMT 2023

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NSC

350856

Created by admin on Sat Dec 16 10:36:18 GMT 2023 , Edited by admin on Sat Dec 16 10:36:18 GMT 2023

PRIMARY