TENIFATECAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H72N2O9
Molecular Weight	905.1682
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC1=C2C=C(OC(=O)CCC(=O)OC3=C(C)C(C)=C4O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC4=C3C)C=CC2=NC5=C1CN6C5=CC7=C(COC(=O)[C@]7(O)CC)C6=O

InChI

InChIKey=KRHZRBUSQSYTTP-PTXGIJCNSA-N

InChI=1S/C55H72N2O9/c1-11-39-41-28-38(21-22-45(41)56-49-42(39)30-57-46(49)29-44-43(52(57)60)31-63-53(61)55(44,62)12-2)64-47(58)23-24-48(59)65-50-35(7)36(8)51-40(37(50)9)25-27-54(10,66-51)26-15-20-34(6)19-14-18-33(5)17-13-16-32(3)4/h21-22,28-29,32-34,62H,11-20,23-27,30-31H2,1-10H3/t33-,34-,54-,55+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C55H72N2O9
Molecular Weight	905.1682
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 `Fri Dec 15 16:21:31 UTC 2023` Edited by `admin` on `Fri Dec 15 16:21:31 UTC 2023`
Record UNII	7G0Y719Q80
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TENIFATECAN

Official Name

English

tenifatecan [INN]

Common Name

English

SN2310

Code

English

(4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN- 9-YL (2R)-2,5,7,8-TETRAMETHYL-2-((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-6-YL BUTANEDIOATE

Common Name

English

SN-2310

Code

English

TENIFATECAN [USAN]

Common Name

English

BUTANEDIOIC ACID, (4S)-4,11-DIETHYL-3,4,12,14-TETRAHYDRO-4-HYDROXY-3,14-DIOXO-1H- PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-9-YL (2R)-3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2- ((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-YL ESTER

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2843