Noscapine hydrochloride monohydrate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H23NO7.ClH.H2O
Molecular Weight	467.897
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Noscapine hydrochloride monohydrate

Structure Search

SMILES

O.Cl.[H][C@@]1(OC(=O)C2=C1C=CC(OC)=C2OC)[C@]3([H])N(C)CCC4=CC5=C(OCO5)C(OC)=C34

InChI

InChIKey=ZYGSNVAGWKWKKI-WCRQIBMVSA-N

InChI=1S/C22H23NO7.ClH.H2O/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18;;/h5-6,9,17-18H,7-8,10H2,1-4H3;1H;1H2/t17-,18+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C22H23NO7
Molecular Weight	413.4205
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
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

Molecular Formula	H2O
Molecular Weight	18.0153
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 18:28:11 UTC 2023` Edited by `admin` on `Sat Dec 16 18:28:11 UTC 2023`
Record UNII	C5YRF6QY5K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Noscapine hydrochloride monohydrate

Common Name

English

Noscapine hydrochloride hydrate [WHO-DD]

Common Name

English

1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride, hydrate (1:1:1), (3S)-

Systematic Name

English

1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride, monohydrate, (3S)-

Systematic Name

English

Code System Code Type Description

KEGG

D02172

Created by admin on Sat Dec 16 18:28:12 UTC 2023 , Edited by admin on Sat Dec 16 18:28:12 UTC 2023

PRIMARY

CAS

219533-73-0

Created by admin on Sat Dec 16 18:28:12 UTC 2023 , Edited by admin on Sat Dec 16 18:28:12 UTC 2023

PRIMARY

FDA UNII

C5YRF6QY5K

Created by admin on Sat Dec 16 18:28:12 UTC 2023 , Edited by admin on Sat Dec 16 18:28:12 UTC 2023

PRIMARY

PUBCHEM

20845981

Created by admin on Sat Dec 16 18:28:12 UTC 2023 , Edited by admin on Sat Dec 16 18:28:12 UTC 2023

PRIMARY

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