AKUAMMICINE HYDROCHLORIDE DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22N2O2.ClH.2H2O
Molecular Weight	394.892
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of AKUAMMICINE HYDROCHLORIDE DIHYDRATE

Structure Search

SMILES

O.O.Cl.COC(=O)C1=C2NC3=C(C=CC=C3)[C@@]24CC[N@]5C\C(=C\C)[C@@H]1C[C@@H]45

InChI

InChIKey=PVRKACMAIRZGEX-MMBWDXHZSA-N

InChI=1S/C20H22N2O2.ClH.2H2O/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22;;;/h3-7,13,16,21H,8-11H2,1-2H3;1H;2*1H2/b12-3-;;;/t13-,16-,20+;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula	C20H22N2O2
Molecular Weight	322.4009
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

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

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 `Mon Mar 31 21:55:28 GMT 2025` Edited by `admin` on `Mon Mar 31 21:55:28 GMT 2025`
Record UNII	7703WV65YH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AKUAMMICINE HYDROCHLORIDE DIHYDRATE [MI]

Preferred Name

English

AKUAMMICINE HYDROCHLORIDE DIHYDRATE

Common Name

English

CURAN-17-OIC ACID, 2,16,19,20-TETRADEHYDRO-, METHYL ESTER, MONOHYDROCHLORIDE, DIHYDRATE, (19E)-

Common Name

English

AKUAMMICINE, MONOHYDROCHLORIDE, DIHYDRATE

Common Name

English

Code System Code Type Description

MERCK INDEX

m1462

Created by admin on Mon Mar 31 21:55:28 GMT 2025 , Edited by admin on Mon Mar 31 21:55:28 GMT 2025

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Merck Index

CAS

25530-64-7

Created by admin on Mon Mar 31 21:55:28 GMT 2025 , Edited by admin on Mon Mar 31 21:55:28 GMT 2025

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PUBCHEM

72710686

Created by admin on Mon Mar 31 21:55:28 GMT 2025 , Edited by admin on Mon Mar 31 21:55:28 GMT 2025

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FDA UNII

7703WV65YH

Created by admin on Mon Mar 31 21:55:28 GMT 2025 , Edited by admin on Mon Mar 31 21:55:28 GMT 2025

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