REVEXEPRIDE MONOHYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32ClN3O4.ClH.H2O
Molecular Weight	480.426
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of REVEXEPRIDE MONOHYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.COCCCN1CC[C@@H](CNC(=O)C2=CC(Cl)=C(N)C3=C2OC(C)(C)C3)[C@H](O)C1

InChI

InChIKey=PBUJIMKARWFIMP-YUANJJMISA-N

InChI=1S/C21H32ClN3O4.ClH.H2O/c1-21(2)10-15-18(23)16(22)9-14(19(15)29-21)20(27)24-11-13-5-7-25(12-17(13)26)6-4-8-28-3;;/h9,13,17,26H,4-8,10-12,23H2,1-3H3,(H,24,27);1H;1H2/t13-,17+;;/m0../s1

HIDE SMILES / InChI

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	C21H32ClN3O4
Molecular Weight	425.949
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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:18:05 UTC 2023` Edited by `admin` on `Sat Dec 16 02:18:05 UTC 2023`
Record UNII	B0P5ZFB497
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REVEXEPRIDE MONOHYDROCHLORIDE MONOHYDRATE

Common Name

English

Code System Code Type Description

PUBCHEM

131633444

Created by admin on Sat Dec 16 02:18:05 UTC 2023 , Edited by admin on Sat Dec 16 02:18:05 UTC 2023

PRIMARY

FDA UNII

B0P5ZFB497

Created by admin on Sat Dec 16 02:18:05 UTC 2023 , Edited by admin on Sat Dec 16 02:18:05 UTC 2023

PRIMARY

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