RESERPINE SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H40N2O9.H2O4S
Molecular Weight	706.757
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]4([H])N(CCC5=C4NC6=C5C=CC(OC)=C6)C2

InChI

InChIKey=FAXJAGWYPFUKMP-BQTSRIDJSA-N

InChI=1S/C33H40N2O9.H2O4S/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;1-5(2,3)4/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;(H2,1,2,3,4)/t18-,22+,24-,27-,28+,31+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C33H40N2O9
Molecular Weight	608.6787
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O4S
Molecular Weight	98.078
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 14:35:26 UTC 2023` Edited by `admin` on `Sat Dec 16 14:35:26 UTC 2023`
Record UNII	KM25ND9T2H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RESERPINE SULFATE

Common Name

English

YOHIMBAN-16-CARBOXYLIC ACID, 11,17-DIMETHOXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)-, METHYL ESTER, (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-, SULFATE (1:1)

Systematic Name

English

3.BETA.,20.ALPHA.-YOHIMBAN-16.BETA.-CARBOXYLIC ACID, 18.BETA.-HYDROXY-11,17.ALPHA.-DIMETHOXY-, METHYL ESTER, 3,4,5-TRIMETHOXYBENZOATE (ESTER), SULFATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

KM25ND9T2H

Created by admin on Sat Dec 16 14:35:26 UTC 2023 , Edited by admin on Sat Dec 16 14:35:26 UTC 2023

PRIMARY

CAS

6105-95-9

Created by admin on Sat Dec 16 14:35:26 UTC 2023 , Edited by admin on Sat Dec 16 14:35:26 UTC 2023

PRIMARY

PUBCHEM

133082397

Created by admin on Sat Dec 16 14:35:26 UTC 2023 , Edited by admin on Sat Dec 16 14:35:26 UTC 2023

PRIMARY

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RESERPINE

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