NALTRIBEN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H25NO4
Molecular Weight	415.481
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C2O[C@H]3C4=C(C[C@@]5(O)[C@H]6CC(C=C1)=C2[C@@]35CCN6CC7CC7)C8=C(O4)C=CC=C8

InChI

InChIKey=ZHVWWEYETMPAMX-IFKAHUTRSA-N

InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H25NO4
Molecular Weight	415.481
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:36:22 UTC 2023` Edited by `admin` on `Sat Dec 16 18:36:22 UTC 2023`
Record UNII	RXG719F189
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NALTRIBEN

Common Name

English

4,8-METHANO-8AH-BISBENZOFURO(3,2-E:2',3'-G)ISOQUINOLINE-1,8A-DIOL, 7-(CYCLOPROPYLMETHYL)-5,6,7,8,9,14B-HEXAHYDRO-, (8R-(4BS*,8.ALPHA.,8A.BETA.,14B.BETA.))-

Systematic Name

English

4,8-METHANO-8AH-BISBENZOFURO(3,2-E:2',3'-G)ISOQUINOLINE-1,8A-DIOL, 7-(CYCLOPROPYLMETHYL)-5,6,7,8,9,14B-HEXAHYDRO-, (4BS,8R,8AS,14BR)-

Systematic Name

English

(4BS,8R,8AS,14BR)-7-(CYCLOPROPYLMETHYL)-5,6,7,8,9,14B-HEXAHYDRO-4,8-METHANO-8AH-BISBENZOFURO(3,2-E:2',3'-G)ISOQUINOLINE-1,8A-DIOL

Systematic Name

English

Code System Code Type Description

CAS

111555-58-9