PILOCEREINE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C45H65N3O6
Molecular Weight	744.0141
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC2=C3C(CC(C)C)N(C)CCC3=CC(OC)=C2OC4=C5C(CC(C)C)N(C)CCC5=CC(OC)=C4O)C=C6C(CC(C)C)N(C)CCC6=C1

InChI

InChIKey=AFQDIEHIPKSXRL-UHFFFAOYSA-N

InChI=1S/C45H65N3O6/c1-26(2)19-33-32-25-37(36(50-10)22-29(32)13-16-46(33)7)53-45-41-31(15-18-48(9)35(41)21-28(5)6)24-39(52-12)43(45)54-44-40-30(23-38(51-11)42(44)49)14-17-47(8)34(40)20-27(3)4/h22-28,33-35,49H,13-21H2,1-12H3

HIDE SMILES / InChI

Molecular Formula	C45H65N3O6
Molecular Weight	744.0141
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:01:20 GMT 2023` Edited by `admin` on `Sat Dec 16 10:01:20 GMT 2023`
Record UNII	PV5UF6M752
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PILOCEREINE

Common Name

English

NSC-21075

Code

English

7-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-6-METHOXY-2-METHYL-1-(2-METHYLPROPYL)-8-((1,2,3,4-TETRAHYDRO-6-METHOXY-2-METHYL-1-(2-METHYLPROPYL)-8-((1,2,3,4-TETRAHYDRO-6-METHOXY-2-METHYL-1-(2-METHYLPROPYL)-7-ISOQUINOLINYL)OXY)-7-ISOQUINOLINYL)OXY)-

Systematic Name

English

PILOCEREINE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m892