FOSGEMCITABINE PALABENAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H27F2N4O8P
Molecular Weight	580.4744
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of FOSGEMCITABINE PALABENAMIDE

Structure Search

SMILES

C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChIKey=NHTKGYOMICWFQZ-BBOXMAMFSA-N

InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21+,23+,40-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H27F2N4O8P
Molecular Weight	580.4744
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Harnessing gemcitabine metabolism: a step towards personalized medicine for pancreatic cancer.	2012 Nov	23118809
Application of ProTide technology to gemcitabine: a successful approach to overcome the key cancer resistance mechanisms leads to a new agent (NUC-1031) in clinical development.	2014 Feb 27	24471998

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:12:31 UTC 2023` Edited by `admin` on `Sat Dec 16 14:12:31 UTC 2023`
Record UNII	I17GWP65CE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FOSGEMCITABINE PALABENAMIDE

Official Name

English

BIO-1031

Code

English

acelarin

Brand Name

English

L-Alanine, N-[[P(S)]-2′-deoxy-2′,2′-difluoro-P-phenyl-5′-cytidylyl]-, phenylmethyl ester

Systematic Name

English

N-[[P(S)]-2′-deoxy-2′,2′-difluoro-P-phenyl-5′-cytidylyl]-L-alanine phenylmethyl ester

Systematic Name

English

fosgemcitabine palabenamide [INN]

Common Name

English

CPF-31

Code

English

NUC-1031, (S)-

Code

English

Fosgemcitabine palabenamide [WHO-DD]

Common Name

English

benzyl N-[P(S)-2′-deoxy-2′,2′-difluoro-P-phenyl-5'-cytidyly]}-L-alaninate

Systematic Name

English

NUC-1031

Code

English

CPF31

Code

English

FOSGEMCITABINE PALABENAMIDE [USAN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

644618