Oxymetazoline glutathione metabolic conjugate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H39N5O7S
Molecular Weight	565.682
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Oxymetazoline glutathione metabolic conjugate

Structure Search

SMILES

CC1=C(CC2=NCCN2)C(CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)=CC(=C1O)C(C)(C)C

InChI

InChIKey=WVSZQBAWWDGCDM-OALUTQOASA-N

InChI=1S/C26H39N5O7S/c1-14-16(10-20-28-7-8-29-20)15(9-17(23(14)35)26(2,3)4)12-39-13-19(24(36)30-11-22(33)34)31-21(32)6-5-18(27)25(37)38/h9,18-19,35H,5-8,10-13,27H2,1-4H3,(H,28,29)(H,30,36)(H,31,32)(H,33,34)(H,37,38)/t18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H39N5O7S
Molecular Weight	565.682
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:01:33 GMT 2023` Edited by `admin` on `Sat Dec 16 20:01:33 GMT 2023`
Record UNII	RZN45T7DVU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Oxymetazoline glutathione metabolic conjugate

Common Name

English

Glycine, L-γ-glutamyl-S-[[2-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-5-(1,1-dimethylethyl)-4-hydroxy-3-methylphenyl]methyl]-L-cysteinyl-

Systematic Name

English

(2S)-2-amino-4-{[(1R)-2-[({5-tert-butyl-2-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-4-hydroxy-3-methylphenyl}methyl)sulfanyl]-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

118753146

Created by admin on Sat Dec 16 20:01:33 GMT 2023 , Edited by admin on Sat Dec 16 20:01:33 GMT 2023

PRIMARY

CAS

1353319-33-1

Created by admin on Sat Dec 16 20:01:33 GMT 2023 , Edited by admin on Sat Dec 16 20:01:33 GMT 2023

PRIMARY

FDA UNII

RZN45T7DVU

Created by admin on Sat Dec 16 20:01:33 GMT 2023 , Edited by admin on Sat Dec 16 20:01:33 GMT 2023

PRIMARY

Related Record Type Details


					8VLN5B44ZY

OXYMETAZOLINE

PARENT->METABOLITE REACTIVE TYPE

Amount: