LOCNARTECAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H49N7O9
Molecular Weight	879.9549
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC5=CC=C(OC(=O)N6CCC(CCN7C=CC8=C7C=CC(=C8)N9C(=O)NN=C9C%10=CC(C(C)C)=C(O)C=C%10O)CC6)C=C15

InChI

InChIKey=QTPZAEAYDWMVJO-GGCSAXROSA-N

InChI=1S/C49H49N7O9/c1-5-31-33-20-30(8-9-38(33)50-43-35(31)24-55-40(43)22-37-36(45(55)59)25-64-46(60)49(37,63)6-2)65-48(62)54-16-12-27(13-17-54)11-15-53-18-14-28-19-29(7-10-39(28)53)56-44(51-52-47(56)61)34-21-32(26(3)4)41(57)23-42(34)58/h7-10,14,18-23,26-27,57-58,63H,5-6,11-13,15-17,24-25H2,1-4H3,(H,52,61)/t49-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H49N7O9
Molecular Weight	879.9549
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:31:07 GMT 2025` Edited by `admin` on `Mon Mar 31 21:31:07 GMT 2025`
Record UNII	56DL1J49LR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LOCNARTECAN

Official Name

English

PEN-866

Preferred Name

English

HSP90-TARGETED SN-38 CONJUGATE PEN-866

Common Name

English

locnartecan [INN]

Common Name

English

PEN866

Code

English

1-PIPERIDINECARBOXYLIC ACID, 4-(2-(5-(3-(2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL)-1,5-DIHYDRO-5-OXO-4H-1,2,4-TRIAZOL-4-YL)-1H-INDOL-1-YL)ETHYL)-, (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

Systematic Name

English

STA 12-8666

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)QUINOLIN9-YL 4-(2-(5-(3-(2,4-DIHYDROXY-5-(PROPAN-2-YL)PHENYL)-5-OXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)-1H-INDOL-1-YL)ETHYL)PIPERIDINE-1-CARBOXYLATE

Systematic Name

English

PEN 866 [WHO-DD]

Common Name

English

HDC SN-38

Code

English

SDC-TRAP 0063

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1904