Orenasitecan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C72H86N12O20S
Molecular Weight	1471.587
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCNC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=CC(=CC=C2)[C@@H](CC(O)=O)NC(=O)NC3=CC=C(NC(=O)NCCOCCOCCOCCC(=O)N[C@@H](CC(O)=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(C)C)C(=O)O[C@]5(CC)C(=O)OCC6=C5C=C7N(CC8=C(CC)C9=C(C=CC=C9)N=C78)C6=O)C=C3

InChI

InChIKey=NIZBSXQORMTMGG-MNFWRURASA-N

InChI=1S/C72H86N12O20S/c1-6-26-73-69(95)77-46-15-12-17-48(36-46)105(98,99)82-47-16-11-14-43(35-47)55(38-60(86)87)80-71(97)76-45-23-21-44(22-24-45)75-70(96)74-27-30-101-32-34-102-33-31-100-29-25-59(85)78-56(39-61(88)89)66(92)83-28-13-20-57(83)64(90)81-62(42(4)5)67(93)104-72(8-3)53-37-58-63-51(40-84(58)65(91)52(53)41-103-68(72)94)49(7-2)50-18-9-10-19-54(50)79-63/h9-12,14-19,21-24,35-37,42,55-57,62,82H,6-8,13,20,25-34,38-41H2,1-5H3,(H,78,85)(H,81,90)(H,86,87)(H,88,89)(H2,73,77,95)(H2,74,75,96)(H2,76,80,97)/t55-,56+,57+,62+,72+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C72H86N12O20S
Molecular Weight	1471.587
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:13:50 GMT 2025` Edited by `admin` on `Wed Apr 02 15:13:50 GMT 2025`
Record UNII	L3KV5NR5PG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Orenasitecan

Official Name

English

(4S)-4,11-diethyl-3,14-dioxo-3,4,12,14-tetrahydro-1Hpyrano[ 3',4':6,7]indolizino[1,2-b]quinolin-4-yl N-{1-[4-({[(1R)-2-carboxy-1-(3-{3-[(propylcarbamoyl)amino]benzene-1-sulfonamido}phenyl)ethyl]carbamoyl}amino)anilino]-1-oxo-5,8,11-trioxa-2-azatetradecan

Preferred Name

English

orenasitecan [INN]

Common Name

English

Code System Code Type Description

INN

13284