PHENESTERINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H59Cl2NO2
Molecular Weight	644.797
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)[C@H](C)CCCC(C)C

InChI

InChIKey=SPJCRMJCFSJKDE-ZWBUGVOYSA-N

InChI=1S/C39H59Cl2NO2/c1-27(2)7-6-8-28(3)34-15-16-35-33-14-11-30-26-32(17-19-38(30,4)36(33)18-20-39(34,35)5)44-37(43)25-29-9-12-31(13-10-29)42(23-21-40)24-22-41/h9-13,27-28,32-36H,6-8,14-26H2,1-5H3/t28-,32+,33+,34-,35+,36+,38+,39-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C39H59Cl2NO2
Molecular Weight	644.797
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:03:27 GMT 2023` Edited by `admin` on `Fri Dec 15 15:03:27 GMT 2023`
Record UNII	34021JC2Z6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHENESTERINE

Common Name

English

CHOLEST-5-EN-3-OL (3.BETA.)-, 3-(4-(BIS(2-CHLOROETHYL)AMINO)BENZENEACETATE)

Systematic Name

English

FENESTRIN

Common Name

English

PHENESTERIN [HSDB]

Common Name

English

PHENESTERIN

Common Name

English

DAL-25

Code

English

FENESTERIN

Common Name

English

PHENESTRIN

Common Name

English

PHENESTERINE [MI]

Common Name

English

NSC-104469

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C697