VINTRIPTOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H68N6O9
Molecular Weight	969.1739
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12N3CC[C@@]14C5=CC(=C(OC)C=C5N(C)[C@@]4([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)N[C@@H](CC6=CNC7=C6C=CC=C7)C(=O)OCC)[C@]8(C[C@@]9([H])CN(C[C@](O)(CC)C9)CCC%10=C8NC%11=C%10C=CC=C%11)C(=O)OC

InChI

InChIKey=IQDSXWRQCKDBMW-NSFJATOBSA-N

InChI=1S/C56H68N6O9/c1-7-52(67)28-33-29-55(51(66)70-6,45-37(19-23-61(31-33)32-52)36-16-11-13-18-41(36)58-45)39-26-38-43(27-44(39)69-5)60(4)48-54(38)21-24-62-22-14-20-53(8-2,47(54)62)49(64)56(48,68)50(65)59-42(46(63)71-9-3)25-34-30-57-40-17-12-10-15-35(34)40/h10-18,20,26-27,30,33,42,47-49,57-58,64,67-68H,7-9,19,21-25,28-29,31-32H2,1-6H3,(H,59,65)/t33-,42-,47-,48+,49+,52-,53+,54+,55-,56-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C56H68N6O9
Molecular Weight	969.1739
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:56:58 UTC 2023` Edited by `admin` on `Fri Dec 15 18:56:58 UTC 2023`
Record UNII	4GZ191298D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VINTRIPTOL

Official Name

English

vintriptol [INN]

Common Name

English

(23(S))-4-DEACETYL-3-((1-CARBOXY-2-INDOL-3-YLETHYL)CARBAMOYL)-3-DE(METHOXYCARBONYL)VINCALEUKOBLASTINE, ETHYL ESTER

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C274