1-O-METHYLPAKISTANINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H42N2O6
Molecular Weight	622.7499
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C=C1OC)[C@H](CC3=CC=C(OC4=C(O)C=C5C(C[C@H]6N(C)CCC7=CC(OC)=C(OC)C5=C67)=C4)C=C3)N(C)CC2

InChI

InChIKey=XMPDJTPBQGEPGK-XZWHSSHBSA-N

InChI=1S/C38H42N2O6/c1-39-13-11-23-17-33(42-3)34(43-4)21-27(23)29(39)15-22-7-9-26(10-8-22)46-32-19-25-16-30-36-24(12-14-40(30)2)18-35(44-5)38(45-6)37(36)28(25)20-31(32)41/h7-10,17-21,29-30,41H,11-16H2,1-6H3/t29-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H42N2O6
Molecular Weight	622.7499
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:37:40 GMT 2025` Edited by `admin` on `Tue Apr 01 19:37:40 GMT 2025`
Record UNII	1MY76OWIFF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-335647

Preferred Name

English

1-O-METHYLPAKISTANINE

Common Name

English

(6AR)-5,6,6A,7-TETRAHYDRO-1,2-DIMETHOXY-6-METHYL-9-(4-(((1S)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)PHENOXY)-4H-DIBENZO(DE,G)QUINOLIN-10-OL

Systematic Name

English

O1-METHYLPAKISTANINE

Common Name

English

(+)-1-O-METHYLPAKISTANINE

Common Name

English

4H-DIBENZO(DE,G)QUINOLIN-10-OL, 5,6,6A,7-TETRAHYDRO-1,2-DIMETHOXY-6-METHYL-9-(4-(((1S)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)PHENOXY)-, (6AR)-

Systematic Name

English

4H-DIBENZO(DE,G)QUINOLIN-10-OL, 5,6,6A,7-TETRAHYDRO-1,2-DIMETHOXY-6-METHYL-9-(4-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)PHENOXY)-, (R-(R*,S*))-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40189944