3-ISORESERPILINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28N2O5
Molecular Weight	412.4788
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@]3([H])C(=CO[C@@H](C)[C@]3([H])CN1CCC4=C2NC5=CC(OC)=C(OC)C=C45)C(=O)OC

InChI

InChIKey=FGWJRZQNNZVCHR-HAHWVIBASA-N

InChI=1S/C23H28N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3/t12-,14-,16-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28N2O5
Molecular Weight	412.4788
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 `Fri Dec 15 18:38:09 GMT 2023` Edited by `admin` on `Fri Dec 15 18:38:09 GMT 2023`
Record UNII	3T56CD574C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-ISORESERPILINE

Common Name

English

3-ISORESERPILINIC ACID, METHYL ESTER

Systematic Name

English

OXAYOHIMBAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-10,11-DIMETHOXY-19-METHYL-, METHYL ESTER, (19.ALPHA.,20.ALPHA.)-

Systematic Name

English

NEORESERPILINE

Common Name

English

ISORESERPILINE

Common Name

English

ISORESERPILIN

Common Name

English

METHYL (19.ALPHA.,20.ALPHA.)-16,17-DIDEHYDRO-10,11-DIMETHOXY-19-METHYLOXAYOHIMBAN-16-CARBOXYLATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID601317309