PREDNAZOLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H29O8P.C13H18N2O
Molecular Weight	658.7187
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=C(OCC2=NCCN2)C=CC=C1.[H][C@@]34CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]3(C)C[C@H](O)[C@@]5([H])[C@@]4([H])CCC6=CC(=O)C=C[C@]56C

InChI

InChIKey=WBNNIURTBZHJTI-WDCKKOMHSA-N

InChI=1S/C21H29O8P.C13H18N2O/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);3-6,10H,7-9H2,1-2H3,(H,14,15)/t14-,15-,16-,18+,19-,20-,21-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C21H29O8P
Molecular Weight	440.4239
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C13H18N2O
Molecular Weight	218.2948
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 17:47:54 UTC 2023` Edited by `admin` on `Sat Dec 16 17:47:54 UTC 2023`
Record UNII	45IOG00G0B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PREDNAZOLINE

Official Name

English

prednazoline [INN]

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 11,17-DIHYDROXY-21-(PHOSPHONOOXY)-, (11.BETA.)-, COMPD. WITH 4,5-DIHYDRO-2-((2-(1-METHYLETHYL)PHENOXY)METHYL)-1H-IMIDAZOLE (1:1)

Common Name

English

PREDNAZOLINE [MART.]

Common Name

English

11.BETA.,17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 21-(DI-H PHOSPHATE) COMPOUND WITH 2-((2-ISOPROPYLPHENOXY)METHYL)-2-IMIDAZOLINE

Common Name

English

Prednazoline [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C521