3-ISORESERPILINE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28N2O5.ClH
Molecular Weight	448.94
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-ISORESERPILINE HYDROCHLORIDE

Structure Search

SMILES

Cl.[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=OBRCJLFNJSJJHG-DEIYWNCWSA-N

InChI=1S/C23H28N2O5.ClH/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;1H/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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:46:09 GMT 2023` Edited by `admin` on `Sat Dec 16 01:46:09 GMT 2023`
Record UNII	348S2LL3VD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-ISORESERPILINE HYDROCHLORIDE

Common Name

English

4H-INDOLO(2,3-A)PYRANO(3,4-G)QUINOLIZINE-1-CARBOXYLIC ACID, 4A,5,7,8,13,13B,14,14A-OCTAHYDRO-10,11-DIMETHOXY-4-METHYL-, METHYL ESTER, HYDROCHLORIDE (1:1), (4S,4AS,13BS,14AS)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

90479535

Created by admin on Sat Dec 16 01:46:09 GMT 2023 , Edited by admin on Sat Dec 16 01:46:09 GMT 2023

PRIMARY

FDA UNII

348S2LL3VD

Created by admin on Sat Dec 16 01:46:09 GMT 2023 , Edited by admin on Sat Dec 16 01:46:09 GMT 2023

PRIMARY

CAS

1071558-41-2

Created by admin on Sat Dec 16 01:46:09 GMT 2023 , Edited by admin on Sat Dec 16 01:46:09 GMT 2023

PRIMARY

CAS

15087-16-8

Created by admin on Sat Dec 16 01:46:09 GMT 2023 , Edited by admin on Sat Dec 16 01:46:09 GMT 2023

NON-SPECIFIC STOICHIOMETRY