Isooctylhydrocupreine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H40N2O2
Molecular Weight	424.6187
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2CC)[C@H](O)C3=CC=NC4=C3C=C(OCCCCCC(C)C)C=C4

InChI

InChIKey=DIOGDSVVUWNLHM-LKSLQULUSA-N

InChI=1S/C27H40N2O2/c1-4-20-18-29-14-12-21(20)16-26(29)27(30)23-11-13-28-25-10-9-22(17-24(23)25)31-15-7-5-6-8-19(2)3/h9-11,13,17,19-21,26-27,30H,4-8,12,14-16,18H2,1-3H3/t20-,21-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H40N2O2
Molecular Weight	424.6187
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:32:18 GMT 2023` Edited by `admin` on `Sat Dec 16 19:32:18 GMT 2023`
Record UNII	Y3XEP4ERX7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Isooctylhydrocupreine

Common Name

English

iso-octylhydrocupreine

Common Name

English

vuzin

Common Name

English

Cinchonan-9-ol, 10,11-dihydro-6′-[(6-methylheptyl)oxy]-, (8α,9R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

120752

Created by admin on Sat Dec 16 19:32:18 GMT 2023 , Edited by admin on Sat Dec 16 19:32:18 GMT 2023

PRIMARY

EPA CompTox

DTXSID80926557

Created by admin on Sat Dec 16 19:32:18 GMT 2023 , Edited by admin on Sat Dec 16 19:32:18 GMT 2023

PRIMARY

FDA UNII

Y3XEP4ERX7

Created by admin on Sat Dec 16 19:32:18 GMT 2023 , Edited by admin on Sat Dec 16 19:32:18 GMT 2023

PRIMARY

CAS

130-87-0

Created by admin on Sat Dec 16 19:32:18 GMT 2023 , Edited by admin on Sat Dec 16 19:32:18 GMT 2023

PRIMARY

Related Record Type Details


					Y3XEP4ERX7

Isooctylhydrocupreine

ACTIVE MOIETY

Amount: