Adamantoyl cytarabine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H27N3O6
Molecular Weight	405.4449
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COC(=O)C34CC5CC(CC(C5)C3)C4)[C@@H](O)[C@@H]2O

InChI

InChIKey=NMANUXYHRYVLDW-UITAOGKOSA-N

InChI=1S/C20H27N3O6/c21-14-1-2-23(19(27)22-14)17-16(25)15(24)13(29-17)9-28-18(26)20-6-10-3-11(7-20)5-12(4-10)8-20/h1-2,10-13,15-17,24-25H,3-9H2,(H2,21,22,27)/t10?,11?,12?,13-,15-,16+,17-,20?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H27N3O6
Molecular Weight	405.4449
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:16:43 GMT 2025` Edited by `admin` on `Wed Apr 02 09:16:43 GMT 2025`
Record UNII	K93BUM9ATZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-117614

Preferred Name

English

Adamantoyl cytarabine

Common Name

English

4-Amino-1-[5-O-(tricyclo[3.3.1.1<sup>3,7</sup>]dec-1-ylcarbonyl)-?-D-arabinofuranosyl]-2(1H)-pyrimidinone

Systematic Name

English

2(1H)-Pyrimidinone, 4-amino-1-[5-O-(tricyclo[3.3.1.1<sup>3,7</sup>]dec-1-ylcarbonyl)-?-D-arabinofuranosyl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

K93BUM9ATZ